data_1x5l_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 1x5l _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.833 0.349 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.474 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -76.13 152.58 84.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.541 0.686 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 163.73 37.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -70.54 176.44 4.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -114.13 115.82 28.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.3 t -56.77 125.99 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 m -117.91 11.63 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.7 t -122.54 114.72 43.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 18' ' ' ARG . 71.7 mt -142.13 136.54 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.465 ' N ' HG22 ' A' ' 17' ' ' ILE . 42.0 mtt-85 -138.14 151.15 47.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 22' ' ' ALA . 7.0 tt0 -93.81 120.9 34.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -83.01 -47.54 11.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.7 mtt85 -154.12 116.55 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.428 ' HB2' ' NE2' ' A' ' 19' ' ' GLN . . . -97.16 102.41 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' SER . . . -81.94 179.04 53.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -70.04 -44.73 68.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.3 p -117.1 -12.73 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' GLY . 64.0 p -124.17 144.49 49.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.64 143.9 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.3 t -106.68 161.04 15.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CD1' HG23 ' A' ' 46' ' ' ILE . 82.3 mt -136.47 162.57 32.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.478 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 14.0 tp -154.06 110.54 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 46.2 p90 -125.37 173.31 8.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 33' ' ' GLU . 4.2 pp0? -112.33 169.92 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.497 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 4.2 mt-10 -67.66 146.25 98.45 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.608 0.718 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' GLU . 54.0 Cg_endo -69.74 135.04 29.49 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.382 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' PRO . 35.6 mt-10 -35.21 -64.31 0.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 12.8 mm-40 -121.61 102.01 42.49 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.6 0.714 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 54.0 Cg_endo -69.75 -30.55 22.14 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 10' ' ' ALA . 60.0 m-20 60.21 43.37 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.96 -162.87 24.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.99 127.61 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 111.117 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.5 mt -90.21 121.88 40.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.2 mt -68.37 -55.39 12.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -166.34 157.53 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.566 ' CE2' ' HB1' ' A' ' 85' ' ' ALA . 83.3 m-85 -95.71 131.42 42.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.58 122.74 44.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.432 HG23 ' CD1' ' A' ' 29' ' ' LEU . 5.1 mp -103.99 139.63 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.168 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -113.87 118.59 34.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.541 ' CD2' HG11 ' A' ' 70' ' ' VAL . 48.3 p90 -128.74 128.0 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 4.2 p90 -146.75 156.46 43.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -53.24 110.59 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -49.57 -53.57 23.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.838 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.929 0.395 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.8 p -105.2 154.02 20.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.0 tp -130.46 126.99 38.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.405 ' CD ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -89.92 121.51 32.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.35 130.13 51.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.8 m -88.13 -26.28 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 66' ' ' THR . 1.8 t -114.41 175.38 5.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.436 ' N ' ' OG1' ' A' ' 65' ' ' THR . 58.0 p -70.95 0.93 6.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.478 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 24.3 mtp180 -117.87 140.85 49.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.58 160.2 42.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.1 m -141.6 114.05 8.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.541 HG11 ' CD2' ' A' ' 48' ' ' TYR . 73.0 t -85.71 117.63 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.5 m -115.05 154.91 27.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.85 36.96 4.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 mt -113.64 176.29 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.934 0.397 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -102.85 143.37 26.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.701 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 160.87 48.09 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.34 42.5 18.32 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.2 m -141.98 121.2 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.759 0.314 . . . . 0.0 111.161 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.4 mtt-85 -64.47 145.35 56.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -137.43 131.61 32.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.9 t -93.56 106.16 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 95.6 m-85 -89.98 152.11 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -154.44 107.98 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.8 t -93.31 137.77 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.515 ' HG2' ' CE1' ' A' ' 94' ' ' PHE . 25.6 ptt180 -143.53 152.92 42.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.566 ' HB1' ' CE2' ' A' ' 44' ' ' TYR . . . -98.46 136.82 38.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -120.49 133.38 55.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 33.5 p -130.01 145.47 51.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.8 t -41.72 -44.92 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.43 -56.14 10.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.63 -139.72 2.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 78.7 m -143.5 144.97 32.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.366 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.8 -174.54 32.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.6 mtt85 -86.13 169.28 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.515 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 10.3 m-85 -90.06 145.23 25.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.9 p -60.24 177.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -61.73 150.81 35.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.59 102.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.424 ' CE ' HG21 ' A' ' 17' ' ' ILE . 1.7 ttt -90.22 127.71 36.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -103.59 124.2 48.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 77.0 t -140.46 138.14 36.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -115.9 129.35 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.7 p -73.47 170.5 15.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.48 124.44 10.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.527 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.1 mttm . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.616 0.722 . . . . 0.0 110.9 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.788 0.328 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.39 146.56 96.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 140.88 43.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.4 p -56.62 168.1 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -99.76 130.85 46.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.3 t -65.98 124.86 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.2 m -116.84 17.86 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 p -134.63 112.02 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 18' ' ' ARG . 65.7 mt -141.89 136.66 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.455 ' N ' HG22 ' A' ' 17' ' ' ILE . 32.2 mtt-85 -133.77 172.07 13.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.454 ' NE2' ' HB1' ' A' ' 22' ' ' ALA . 7.5 tt0 -118.21 116.46 26.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.14 -55.29 6.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -145.63 131.56 19.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.454 ' HB1' ' NE2' ' A' ' 19' ' ' GLN . . . -106.25 111.25 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.26 -171.15 36.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.465 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -73.62 -54.59 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.9 p -116.74 16.84 15.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 p -147.91 143.9 27.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.0 t -139.69 128.81 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.3 t -92.84 146.42 23.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.6 mt -124.59 152.56 43.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.3 tp -139.87 111.81 7.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 40.2 p90 -129.16 143.28 50.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -96.25 163.28 13.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -52.88 138.86 43.57 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.64 0.733 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 164.65 33.69 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -45.98 -68.25 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -129.02 102.0 19.32 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.648 0.737 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.4 37.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.383 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 56.09 40.48 30.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.1 179.02 15.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -77.77 125.74 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 111.151 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 42.8 mt -86.16 118.23 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.0 mt -59.26 -56.16 25.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.41 ' CD ' ' HD2' ' A' ' 62' ' ' LYS . 15.3 pt-20 -157.44 158.5 35.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -100.78 128.09 46.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HG3' ' NZ ' ' A' ' 62' ' ' LYS . 30.5 tt0 -91.77 122.23 34.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.2 mt -107.89 111.19 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -100.37 119.77 38.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.467 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 6.6 p90 -136.39 125.36 24.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -134.25 164.29 27.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.39 107.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -45.14 -51.08 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.855 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.7 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.934 0.397 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.86 128.88 25.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 tp -115.58 129.01 56.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.958 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.425 ' NZ ' ' HG3' ' A' ' 45' ' ' GLU . 14.3 mmtm -96.25 138.62 33.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.89 130.88 17.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.4 m -81.63 -33.01 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -95.75 169.19 10.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.9 p -79.99 14.04 1.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.1 mtt85 -134.48 118.84 17.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.63 154.73 46.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.8 m -123.04 127.11 48.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.467 HG11 ' CZ ' ' A' ' 48' ' ' TYR . 93.5 t -88.44 124.29 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.1 p -124.35 158.1 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.31 41.05 6.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.0 mt -111.13 177.86 4.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -109.7 144.02 29.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.563 0.697 . . . . 0.0 110.916 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 154.95 67.3 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.64 2.227 . . . . 0.0 112.356 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.9 48.94 18.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 94.5 m -146.49 117.19 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -64.78 142.65 58.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -135.61 132.19 36.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.2 t -92.39 104.62 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -83.85 154.62 23.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -157.97 102.79 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.462 HG11 ' N ' ' A' ' 84' ' ' ARG . 41.0 t -92.92 142.02 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.567 ' HD3' ' CZ ' ' A' ' 94' ' ' PHE . 27.6 ptt85 -145.64 156.01 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.77 142.45 34.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.7 ttt85 -134.47 139.54 45.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.0 p -127.63 172.26 10.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -64.66 -35.41 80.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.39 -62.37 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -146.89 -158.62 7.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.6 p -132.04 162.07 31.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.861 0.362 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.09 -166.17 19.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -98.23 177.81 5.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.567 ' CZ ' ' HD3' ' A' ' 84' ' ' ARG . 6.5 m-85 -96.64 137.41 35.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.2 t -55.56 161.43 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -52.15 149.03 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.79 105.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.5 ttt -91.32 124.75 35.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -100.1 125.16 46.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.401 HG13 ' NE2' ' A' ' 19' ' ' GLN . 76.8 t -148.53 131.93 7.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -102.52 149.24 24.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 39.1 p -95.83 175.27 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.077 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -72.16 118.94 7.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.546 0.689 . . . . 0.0 110.89 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.817 0.342 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.84 159.19 55.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.73 . . . . 0.0 111.079 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 145.58 57.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.715 2.276 . . . . 0.0 112.351 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 p -59.24 171.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -93.89 118.85 32.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.06 125.71 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -118.02 15.52 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.2 t -118.71 107.85 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.9 mt -142.2 136.43 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -136.38 173.5 11.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -115.27 103.57 10.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.29 -51.43 57.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.5 mtm-85 -148.19 144.13 27.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.18 114.85 18.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.86 -162.62 26.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -80.06 -53.31 6.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.7 p -117.02 17.36 14.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.7 p -143.34 157.12 44.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.1 t -154.97 143.11 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.176 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.7 t -113.07 150.78 31.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -129.31 155.08 46.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 10.3 tp -138.71 114.71 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.439 ' CH2' HD12 ' A' ' 46' ' ' ILE . 37.3 p90 -133.18 143.01 48.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -91.46 159.12 16.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -55.54 149.73 28.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.7 Cg_endo -69.8 140.71 43.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 34' ' ' PRO . 37.2 mt-10 -37.42 -54.49 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 77.7 mt-30 -128.3 102.01 21.39 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.8 Cg_endo -69.73 -26.7 27.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.747 2.298 . . . . 0.0 112.361 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 55.16 42.75 30.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.12 -171.15 22.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mp -86.67 128.46 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.341 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.405 HG23 ' CE1' ' A' ' 44' ' ' TYR . 47.7 mt -87.83 118.05 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.9 -59.34 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -154.02 172.35 17.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.405 ' CE1' HG23 ' A' ' 41' ' ' ILE . 47.3 m-85 -120.04 114.99 22.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.485 ' CB ' ' HD3' ' A' ' 84' ' ' ARG . 0.4 OUTLIER -82.82 127.51 33.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.439 HD12 ' CH2' ' A' ' 31' ' ' TRP . 11.8 mt -115.12 126.71 72.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.429 ' CB ' ' CZ ' ' A' ' 94' ' ' PHE . 35.5 tttt -105.57 125.05 50.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.433 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 4.7 p90 -132.19 129.39 39.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -144.16 164.0 31.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.1 108.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -47.39 -54.71 10.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.857 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.967 0.413 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 61' ' ' LEU . 11.8 m -131.2 148.89 52.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.46 ' N ' HG23 ' A' ' 60' ' ' THR . 20.3 tp -130.75 127.42 38.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -92.0 135.94 33.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -136.78 129.71 30.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.164 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.69 -26.26 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -107.22 171.58 7.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.43 ' N ' ' OG1' ' A' ' 65' ' ' THR . 33.7 p -74.28 5.2 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.462 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 43.3 mtt180 -128.04 136.17 50.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.78 163.24 39.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.2 m -136.83 118.24 14.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.3 t -86.12 107.35 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.6 m -107.69 157.44 18.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.68 42.2 5.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.2 mt -113.53 172.57 6.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -96.79 141.16 22.67 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.714 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.88 48.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.7 50.58 8.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.6 m -151.12 118.42 5.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 0.0 111.164 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -65.62 139.8 58.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -130.24 140.39 50.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.2 t -99.48 111.09 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 90.3 m-85 -96.28 150.51 20.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.509 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 61.6 mt-30 -151.09 112.93 4.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 84' ' ' ARG . 44.3 t -91.65 140.1 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.581 ' HD2' ' CE1' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -140.99 153.52 45.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.16 143.42 36.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -133.73 130.46 38.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.9 p -121.49 170.78 9.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 t -60.11 -45.28 93.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.28 -59.3 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.5 -143.6 3.76 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.8 t -155.97 142.73 18.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -80.28 -134.97 1.39 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.467 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 73.1 mtt85 -141.86 165.53 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.581 ' CE1' ' HD2' ' A' ' 84' ' ' ARG . 4.8 m-85 -64.12 150.2 46.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.9 m -75.75 176.88 7.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -52.03 143.75 13.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.62 102.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.437 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 2.7 tpt -85.71 145.07 27.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 98' ' ' MET . 23.9 mt-10 -123.44 124.92 43.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.5 t -142.45 136.25 27.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -112.16 138.72 48.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.5 p -90.87 167.83 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -72.53 122.87 8.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.475 ' N ' ' HD3' ' A' ' 104' ' ' LYS . 1.4 mppt? . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.647 0.737 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.774 0.321 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.43 157.95 69.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.546 0.688 . . . . 0.0 111.097 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 154.06 68.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.318 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 p -71.92 147.65 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.456 ' OE1' ' C ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -72.98 125.46 27.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.456 ' C ' ' OE1' ' A' ' 13' ' ' GLN . 57.5 t -62.64 103.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -96.18 5.97 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 p -118.01 108.18 23.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.2 mt -142.38 143.66 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -141.55 173.1 11.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -122.98 110.74 15.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.468 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 2.4 mm-40 -69.34 -56.42 7.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.0 mtm105 -148.03 143.29 27.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.98 141.32 52.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -134.86 -164.87 10.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -67.15 -61.22 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -117.39 17.86 14.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.6 p -137.05 144.63 43.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.4 t -154.49 137.01 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.1 t -107.68 147.47 30.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.7 mt -133.07 136.2 45.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.468 ' CD2' ' HG2' ' A' ' 67' ' ' ARG . 5.9 mt -116.36 126.38 53.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 26.4 p90 -145.56 130.35 18.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -91.37 170.3 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -52.06 135.49 38.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.712 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 165.7 30.11 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.61 2.207 . . . . 0.0 112.372 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -41.77 -67.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -133.55 102.0 12.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.712 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -16.83 37.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 56.73 47.32 18.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.77 -166.96 13.86 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mp -87.5 124.53 40.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.0 mt -85.74 109.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.3 mt -46.42 -55.91 6.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.502 ' CD ' ' C ' ' A' ' 43' ' ' GLU . 0.5 OUTLIER -159.5 165.32 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -103.84 110.04 22.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -78.42 128.33 33.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.5 mt -115.41 115.5 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -107.83 115.28 29.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.552 ' CE2' ' HB2' ' A' ' 59' ' ' SER . 2.0 p90 -121.55 125.15 46.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 4.2 p90 -130.7 165.43 22.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.04 116.35 4.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -42.82 -49.48 5.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.8 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.898 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.552 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 49.6 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.971 0.415 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.0 m -113.99 137.04 52.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.8 tp -122.57 149.31 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -116.81 126.63 53.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.92 135.0 51.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.052 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.4 m -91.06 -29.84 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.9 OUTLIER -104.05 174.74 5.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.453 ' N ' ' OG1' ' A' ' 65' ' ' THR . 16.2 p -80.29 14.51 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.468 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 53.2 mtt85 -139.96 119.8 13.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.98 157.89 44.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.0 m -129.42 115.78 18.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.4 t -80.04 111.52 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.6 m -112.37 160.33 17.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.5 39.86 9.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.5 mt -106.72 178.37 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -101.17 132.27 22.15 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.729 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 164.38 34.72 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 42.82 43.13 5.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.4 m -145.64 115.43 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 111.154 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -61.05 137.18 58.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -128.56 156.94 42.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.406 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 89.9 t -118.08 106.91 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 97.8 m-85 -90.06 147.31 23.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -149.13 109.04 4.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 84' ' ' ARG . 60.1 t -92.48 139.6 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -144.14 142.22 30.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.17 121.85 41.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -108.93 121.71 45.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 88' ' ' SER . 39.2 p -107.18 145.21 32.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 87' ' ' THR . 8.1 t -34.82 -43.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.13 -64.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -152.14 -143.97 3.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.6 p -135.33 160.75 37.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.817 0.341 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.88 162.08 13.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -61.67 147.57 45.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.814 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CZ ' ' HG2' ' A' ' 84' ' ' ARG . 9.0 m-85 -70.33 154.13 42.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.422 ' HA ' ' CD ' ' A' ' 13' ' ' GLN . 87.7 p -64.55 168.13 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -56.58 144.3 32.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.39 102.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.4 ' HE3' ' CG2' ' A' ' 100' ' ' VAL . 9.3 ttt -94.77 128.13 41.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -99.38 127.08 45.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.4 ' CG2' ' HE3' ' A' ' 98' ' ' MET . 87.2 t -140.48 132.17 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -105.25 134.07 48.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 58.0 p -83.86 165.75 18.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -63.76 136.47 41.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.7 mttp . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.889 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.82 0.343 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.3 149.14 49.73 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.63 0.728 . . . . 0.0 111.063 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 170.07 17.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.266 . . . . 0.0 112.341 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -84.67 121.16 27.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -54.19 123.58 13.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.1 t -56.54 122.79 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.6 m -117.72 13.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.0 p -126.27 110.33 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.5 mt -142.02 144.25 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.062 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtp-105 -140.72 169.68 17.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.41 ' OE1' ' CG1' ' A' ' 100' ' ' VAL . 19.1 tt0 -117.85 105.02 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.455 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 4.5 mm-40 -64.59 -68.09 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 9.6 mtp-105 -132.89 135.69 45.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.3 103.01 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.64 -152.88 24.27 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -88.26 -51.95 5.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.6 p -117.9 17.72 14.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.3 p -147.83 141.65 25.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.6 t -143.78 135.51 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.408 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 38.5 t -99.38 155.54 17.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.408 ' N ' ' HG ' ' A' ' 28' ' ' SER . 51.7 mt -136.91 140.18 42.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD2' ' HG2' ' A' ' 67' ' ' ARG . 5.6 mt -120.47 126.04 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.553 ' CH2' HD12 ' A' ' 46' ' ' ILE . 33.2 p90 -145.35 131.39 19.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -94.04 164.19 13.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -54.82 146.31 37.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 157.58 59.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.367 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -47.93 -54.8 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -129.74 103.58 17.45 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.584 0.707 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.05 25.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 52.6 44.28 30.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.34 -173.61 21.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mp -87.93 124.09 40.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.77 0.319 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.4 mt -84.23 106.17 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.8 -60.79 2.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -158.72 159.18 34.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -96.47 114.43 26.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.79 117.42 23.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.553 HD12 ' CH2' ' A' ' 31' ' ' TRP . 18.0 mt -102.92 120.36 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -101.32 115.2 29.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 59' ' ' SER . 42.9 p90 -125.57 125.26 42.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.477 ' CE1' ' HB ' ' A' ' 80' ' ' VAL . 3.8 p90 -143.21 159.2 42.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -69.84 119.86 14.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -45.58 -48.84 14.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.439 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 1.4 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.93 0.395 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 61' ' ' LEU . 8.9 m -131.38 146.97 52.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.144 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.427 ' N ' HG22 ' A' ' 60' ' ' THR . 15.5 tp -138.13 151.98 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.17 134.99 54.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.51 132.05 38.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.6 m -89.09 -28.55 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.108 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.6 OUTLIER -103.37 172.71 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.434 ' N ' ' OG1' ' A' ' 65' ' ' THR . 42.7 p -80.53 11.31 3.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.46 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 35.8 mtm180 -135.62 127.47 29.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -143.91 165.58 27.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.2 m -140.27 110.78 6.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.438 HG21 ' CE1' ' A' ' 81' ' ' PHE . 81.4 t -74.07 115.0 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.154 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 t -116.47 157.74 24.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.36 40.47 6.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 12.2 mt -110.48 173.97 6.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.889 0.376 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mtmm -102.4 139.88 20.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 162.7 41.03 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.362 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 42.93 44.68 5.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.6 m -143.59 119.86 10.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 111.142 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -59.05 139.67 56.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 73' ' ' LEU . 11.3 m-85 -129.09 158.88 37.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.477 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 27.6 t -128.91 113.98 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.438 ' CE1' HG21 ' A' ' 70' ' ' VAL . 95.5 m-85 -101.8 149.13 24.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -152.61 105.71 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 84' ' ' ARG . 24.7 t -92.26 142.52 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.56 ' HD3' ' CZ ' ' A' ' 94' ' ' PHE . 22.9 ptt180 -145.84 147.05 31.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.48 131.48 46.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -123.2 123.61 41.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 88' ' ' SER . 72.8 p -109.98 152.03 26.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 87' ' ' THR . 94.3 p -34.82 -42.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.72 -60.64 3.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.061 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -164.87 -173.46 33.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 28.5 p -106.97 142.17 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.87 163.56 21.45 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.48 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -55.68 176.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.56 ' CZ ' ' HD3' ' A' ' 84' ' ' ARG . 6.5 m-85 -96.94 147.16 24.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.0 p -59.34 178.06 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -63.46 137.89 58.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.49 104.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.2 ttt -102.15 121.26 41.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -102.86 129.16 49.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.41 ' CG1' ' OE1' ' A' ' 19' ' ' GLN . 88.3 t -138.02 131.85 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -101.14 135.76 42.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 57.3 p -83.76 169.01 15.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -69.38 131.43 24.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 104' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.554 0.692 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.779 0.323 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.02 151.48 81.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.534 0.683 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 143.31 50.47 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -57.14 164.45 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' A' ' 94' ' ' PHE . 25.7 tt0 -93.3 129.76 39.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.451 ' O ' ' CB ' ' A' ' 95' ' ' SER . 90.9 t -68.8 115.8 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.8 m -116.89 15.95 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.451 HG12 ' CG ' ' A' ' 32' ' ' GLN . 2.9 p -126.14 109.12 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.6 mt -142.07 147.22 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -143.08 173.62 11.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -119.19 111.03 17.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.468 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 2.5 mm-40 -72.8 -60.17 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -139.26 135.65 34.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.07 111.43 21.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.43 -169.45 30.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.504 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -73.74 -55.52 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.1 p -114.92 17.24 17.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.0 p -143.87 150.78 38.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 28' ' ' SER . 69.6 t -151.47 137.6 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.433 ' N ' HG12 ' A' ' 27' ' ' VAL . 23.1 t -105.66 152.71 22.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.509 HD13 ' CD2' ' A' ' 81' ' ' PHE . 16.6 mt -137.49 138.46 39.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.468 ' HG ' ' CG ' ' A' ' 20' ' ' GLU . 5.8 mt -117.37 126.63 53.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 30.5 p90 -145.52 131.71 19.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.451 ' CG ' HG12 ' A' ' 16' ' ' VAL . 1.6 pt20 -91.06 160.51 15.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -52.36 148.37 12.16 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.667 0.746 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.55 63.11 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.238 . . . . 0.0 112.34 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.54 -48.7 14.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.407 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 16.5 mt-30 -136.74 102.39 9.43 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.4 Cg_endo -69.79 -24.34 29.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 53.19 41.67 32.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.89 160.54 10.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -62.2 128.77 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.509 HG23 ' CE1' ' A' ' 44' ' ' TYR . 37.0 mt -91.89 106.98 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 mt -51.55 -57.9 7.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -156.88 171.94 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.509 ' CE1' HG23 ' A' ' 41' ' ' ILE . 32.1 m-85 -112.05 124.93 53.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -90.7 126.95 36.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.0 mt -110.52 135.26 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -124.37 116.03 21.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.514 ' CZ ' HG13 ' A' ' 70' ' ' VAL . 7.0 p90 -125.49 139.52 53.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 10.4 p90 -153.37 173.04 16.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.442 ' HG2' ' CG2' ' A' ' 77' ' ' THR . 7.1 mt-10 -77.91 114.08 16.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.453 ' CB ' HG21 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -70.39 -26.87 63.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.884 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.001 0.429 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.407 HG23 ' N ' ' A' ' 61' ' ' LEU . 7.5 m -113.8 146.78 39.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.407 ' N ' HG23 ' A' ' 60' ' ' THR . 47.5 tp -126.99 133.2 50.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.71 127.42 45.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.6 128.27 45.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.08 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 m -80.9 -34.35 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 t -98.94 173.56 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.4 p -78.61 8.65 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.44 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 73.3 mtt180 -129.88 119.53 23.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.29 154.52 47.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.1 m -130.6 108.58 10.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.514 HG13 ' CZ ' ' A' ' 48' ' ' TYR . 89.1 t -71.88 115.34 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.168 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 t -112.16 158.58 19.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.42 39.19 6.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.469 HD23 ' CD2' ' A' ' 48' ' ' TYR . 46.3 mt -107.05 174.32 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -101.49 139.05 20.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.563 0.697 . . . . 0.0 110.893 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 151.45 69.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.396 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.54 39.87 67.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.442 ' CG2' ' HG2' ' A' ' 50' ' ' GLU . 97.6 m -144.05 110.77 5.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.766 0.317 . . . . 0.0 111.111 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.2 mtt85 -57.06 148.58 21.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -137.57 132.23 32.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.453 HG21 ' CB ' ' A' ' 51' ' ' LYS . 46.8 t -94.31 102.19 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.509 ' CD2' HD13 ' A' ' 29' ' ' LEU . 88.7 m-85 -85.83 156.64 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -155.22 108.48 2.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.46 HG11 ' N ' ' A' ' 84' ' ' ARG . 61.9 t -92.59 139.48 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.552 ' HD2' ' CE1' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -143.54 154.52 43.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.31 139.63 34.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -122.77 125.11 44.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.0 p -122.21 158.65 28.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 t -56.24 -44.81 79.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.807 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.82 -49.41 65.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.32 -129.49 1.12 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.0 p -149.81 168.93 22.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -114.75 -137.46 6.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -123.91 164.95 18.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.552 ' CE1' ' HD2' ' A' ' 84' ' ' ARG . 8.8 m-85 -82.32 140.31 33.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 39.7 p -57.61 178.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -65.11 138.58 58.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.67 102.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 6.8 ttt -94.46 130.13 40.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.41 ' C ' HG22 ' A' ' 100' ' ' VAL . 28.1 mt-10 -103.28 123.88 47.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.41 HG22 ' C ' ' A' ' 99' ' ' GLU . 95.1 t -141.61 138.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -110.56 150.93 28.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 73.6 p -97.64 170.13 9.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.11 117.16 10.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.468 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.0 mttm . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 110.903 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.823 0.344 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.36 140.89 97.79 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.545 0.688 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.01 36.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.313 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -70.54 141.63 51.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -75.89 119.03 19.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.8 t -56.68 119.29 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 m -114.06 16.16 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.452 HG12 ' CG ' ' A' ' 32' ' ' GLN . 2.7 p -126.44 108.2 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.2 mt -140.31 123.82 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.53 170.77 15.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.427 ' OE1' ' CG1' ' A' ' 100' ' ' VAL . 12.9 tt0 -109.85 130.16 55.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -90.22 -41.9 11.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -157.74 129.4 6.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.87 128.81 49.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.48 178.1 19.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -71.36 -49.66 40.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.3 p -115.47 8.91 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.5 p -141.58 166.16 25.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.8 t -153.64 131.34 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.3 t -96.08 141.6 29.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.3 mt -115.52 166.33 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.454 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 14.0 tp -152.09 116.73 5.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.494 ' CE2' HG13 ' A' ' 83' ' ' VAL . 23.6 p90 -144.5 128.69 17.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.452 ' CG ' HG12 ' A' ' 16' ' ' VAL . 3.6 pt20 -91.12 165.11 13.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -52.08 147.61 12.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 174.83 8.93 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.743 2.295 . . . . 0.0 112.328 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -60.73 -45.35 94.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -147.73 101.97 3.69 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -19.69 36.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.267 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 56.1 42.89 27.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.58 -172.55 18.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mp -81.94 129.35 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 111.165 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.5 mt -92.67 121.71 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.51 -61.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -159.87 164.83 33.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -105.14 117.57 34.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.435 ' CD ' HG22 ' A' ' 60' ' ' THR . 4.2 mm-40 -86.35 156.54 20.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.3 mt -135.43 126.31 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -103.19 117.37 34.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -130.23 129.68 43.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -153.07 157.77 40.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -57.38 118.76 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -62.57 -38.6 90.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.962 0.41 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.435 HG22 ' CD ' ' A' ' 45' ' ' GLU . 4.8 m -114.9 148.98 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.4 tp -127.64 130.78 49.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.413 ' HG3' ' CD ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -90.15 128.6 36.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.821 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.03 131.69 52.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.094 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.9 m -88.48 -32.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 t -97.59 168.75 10.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.2 p -79.85 12.96 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.454 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 54.1 mtt180 -146.81 118.06 7.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.58 165.88 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.8 m -133.77 108.44 8.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.8 t -72.4 106.63 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.7 t -102.54 160.53 14.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.73 42.31 5.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.445 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.405 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 12.9 mt -113.9 173.98 6.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -104.42 143.39 26.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.71 . . . . 0.0 110.896 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 160.61 49.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.63 52.68 9.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 m -154.95 112.74 3.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.746 0.308 . . . . 0.0 111.17 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -56.91 139.37 51.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.405 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 21.2 m-85 -129.89 128.81 42.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.6 t -91.24 115.35 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.164 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.53 151.01 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -156.97 113.07 2.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.494 HG13 ' CE2' ' A' ' 31' ' ' TRP . 88.0 t -98.34 154.25 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -157.26 157.47 34.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.77 152.04 22.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -136.05 137.28 40.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.2 p -124.48 166.82 15.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.7 p -63.33 -35.99 82.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.03 -55.72 17.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.98 -155.11 7.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.437 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 45.8 t -131.16 151.86 51.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.32 -128.41 4.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -142.8 169.78 16.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -84.6 134.39 34.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.4 t -61.75 172.16 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -52.18 140.5 20.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.73 116.18 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.457 ' HE2' ' CG2' ' A' ' 100' ' ' VAL . 2.9 ttt -102.07 145.11 29.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.41 ' C ' HG22 ' A' ' 100' ' ' VAL . 50.4 mt-10 -113.69 125.48 54.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.457 ' CG2' ' HE2' ' A' ' 98' ' ' MET . 86.1 t -140.21 131.69 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -104.0 147.17 27.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.2 p -97.75 167.13 11.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.173 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -66.73 127.48 28.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.0 mptt . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.581 0.705 . . . . 0.0 110.866 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.836 0.351 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.45 152.58 32.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.702 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.32 2.82 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.643 2.228 . . . . 0.0 112.366 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -94.36 177.02 6.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.438 ' CD ' ' O ' ' A' ' 94' ' ' PHE . 9.1 tt0 -108.01 130.13 55.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.406 ' CG2' ' HB3' ' A' ' 95' ' ' SER . 36.0 m -68.47 121.59 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.6 m -104.92 16.43 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.483 ' CG1' ' NE2' ' A' ' 32' ' ' GLN . 58.1 t -128.2 111.6 24.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.452 ' CD1' ' OG ' ' A' ' 95' ' ' SER . 13.1 mt -141.36 139.62 32.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.412 ' N ' HG23 ' A' ' 17' ' ' ILE . 3.7 mtp-105 -137.46 174.94 10.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.401 ' NE2' HG11 ' A' ' 100' ' ' VAL . 10.1 tt0 -119.65 106.54 12.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.468 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 8.0 mm-40 -70.07 -47.08 63.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.417 ' CG ' ' HB3' ' A' ' 28' ' ' SER . 11.2 ptt180 -154.76 162.35 41.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -153.5 103.5 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.82 -137.97 3.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.457 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -95.35 -51.51 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.9 p -116.91 15.94 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.4 p -144.98 150.84 37.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.8 t -150.7 132.92 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.417 ' HB3' ' CG ' ' A' ' 21' ' ' ARG . 13.4 t -91.83 150.61 20.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.555 HD13 ' CD1' ' A' ' 81' ' ' PHE . 84.4 mt -130.91 154.5 48.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.468 ' HG ' ' CG ' ' A' ' 20' ' ' GLU . 3.0 mt -139.11 114.86 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.509 ' CE2' ' HA ' ' A' ' 66' ' ' THR . 42.8 p90 -127.21 164.99 20.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.483 ' NE2' ' CG1' ' A' ' 16' ' ' VAL . 71.0 mt-30 -110.19 174.7 5.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.34 148.0 88.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.653 0.739 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' GLU . 54.2 Cg_endo -69.71 137.66 36.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' PRO . 23.4 mt-10 -34.31 -60.22 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.415 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 15.4 mt-30 -131.18 102.0 16.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.729 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.9 Cg_endo -69.7 -25.35 28.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.359 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 56.55 42.5 27.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.06 -172.01 23.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.83 134.42 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.9 mt -94.25 126.63 46.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.79 -50.56 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -167.32 161.84 14.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -99.78 132.78 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -101.34 120.05 39.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.5 mt -101.8 119.63 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -101.38 119.85 39.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.567 ' CD1' ' O ' ' A' ' 48' ' ' TYR . 22.4 p90 -133.09 127.2 33.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -141.03 165.16 28.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.18 108.8 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -47.57 -54.59 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.863 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.944 0.402 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.0 m -118.2 146.55 44.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.1 tp -114.81 158.61 21.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -117.73 128.05 54.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.98 131.33 37.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.046 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.7 m -82.05 -24.08 9.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 t -116.16 166.81 11.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.509 ' HA ' ' CE2' ' A' ' 31' ' ' TRP . 76.4 p -66.92 -2.9 5.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -115.39 127.75 55.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.52 157.46 43.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.2 m -127.43 106.97 9.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.52 HG11 ' CE2' ' A' ' 48' ' ' TYR . 87.6 t -73.06 120.47 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.0 t -122.04 159.2 27.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.52 37.91 7.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.3 mt -107.11 175.57 5.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.876 0.369 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -102.57 140.19 20.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.549 0.69 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 158.72 55.9 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.323 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.37 42.24 13.02 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.536 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 93.4 m -144.41 121.72 11.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 111.184 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 -66.96 142.76 57.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -134.87 130.86 36.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.1 t -89.7 107.01 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.555 ' CD1' HD13 ' A' ' 29' ' ' LEU . 93.9 m-85 -88.3 147.49 24.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 95' ' ' SER . 15.0 mm100 -150.66 113.81 4.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.479 HG11 ' N ' ' A' ' 84' ' ' ARG . 63.7 t -93.42 139.6 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.479 ' N ' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -139.42 154.93 47.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.16 117.86 35.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -101.99 123.61 46.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 88' ' ' SER . 25.4 p -120.67 144.2 48.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 87' ' ' THR . 30.0 t -34.21 -49.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.55 -61.38 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.89 -156.07 8.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.546 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 72.9 m -117.08 157.24 26.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.833 0.349 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -111.26 177.48 19.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -73.23 162.59 29.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.438 ' O ' ' CD ' ' A' ' 13' ' ' GLN . 5.8 m-85 -84.67 144.18 28.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.472 ' O ' ' NE2' ' A' ' 82' ' ' GLN . 96.6 p -58.08 174.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -55.73 135.2 51.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.03 102.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 0.9 OUTLIER -85.03 145.11 27.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 98' ' ' MET . 43.5 mt-10 -124.85 124.06 41.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.401 HG11 ' NE2' ' A' ' 19' ' ' GLN . 86.5 t -147.36 148.81 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -117.34 134.75 54.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.5 p -78.08 170.36 16.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.14 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.04 118.05 4.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.559 0.695 . . . . 0.0 110.927 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.784 0.326 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 143.06 97.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 157.27 60.97 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.319 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 t -67.63 131.15 45.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.441 ' CD ' ' O ' ' A' ' 94' ' ' PHE . 8.2 tt0 -64.06 126.25 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 95' ' ' SER . 89.8 t -60.75 112.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.36 17.92 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 p -129.74 105.19 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 18' ' ' ARG . 92.1 mt -142.31 135.7 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.466 ' N ' HG21 ' A' ' 17' ' ' ILE . 76.3 mtt180 -132.57 174.81 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -119.3 109.57 15.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.463 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 5.5 mm-40 -70.37 -55.54 8.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 21' ' ' ARG . 40.1 mtm105 -148.88 144.83 27.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.05 120.81 31.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.55 -165.15 16.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.4 -62.49 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 p -117.97 17.88 14.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.409 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 46.6 p -129.6 152.55 49.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' A' ' 26' ' ' SER . 97.7 t -157.53 143.6 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -118.17 139.78 50.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.5 HD13 ' CD1' ' A' ' 81' ' ' PHE . 44.2 mt -125.5 133.47 52.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.473 ' CD2' ' HG2' ' A' ' 67' ' ' ARG . 6.1 mt -113.38 126.93 55.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 24.5 p90 -145.64 131.42 19.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -91.37 160.42 15.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.08 139.42 34.24 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.671 0.748 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.1 Cg_endo -69.82 149.81 67.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 34' ' ' PRO . 24.2 mt-10 -37.19 -64.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -125.09 102.28 31.15 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.739 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -12.54 33.06 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.738 2.292 . . . . 0.0 112.335 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 55.1 43.81 28.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.71 -178.68 16.43 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.4 mp -74.74 126.24 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 111.152 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.4 mt -86.92 120.29 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.11 -63.35 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -154.14 159.92 41.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -99.58 128.59 45.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 84' ' ' ARG . 0.7 OUTLIER -94.72 134.26 37.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.5 mt -122.94 107.98 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -99.99 123.33 44.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.558 ' CE2' HG12 ' A' ' 70' ' ' VAL . 18.8 p90 -131.61 141.56 49.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -153.39 156.64 38.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -53.29 109.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -49.61 -52.14 32.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.888 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.501 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 44.0 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.933 0.397 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.455 ' CG2' ' HG3' ' A' ' 45' ' ' GLU . 22.3 m -106.87 153.22 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 tp -139.46 129.28 24.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.94 132.87 40.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.39 129.6 37.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.7 m -84.72 -36.05 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 t -93.07 170.04 9.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.5 p -80.92 16.23 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.473 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 54.8 mtt180 -138.74 119.24 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.18 155.08 47.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.2 m -131.88 102.91 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.558 HG12 ' CE2' ' A' ' 48' ' ' TYR . 58.3 t -71.23 118.02 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.6 m -121.24 151.51 39.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.9 39.11 4.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.1 mt -106.66 177.9 4.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -98.02 134.74 21.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.884 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 153.95 68.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.748 2.299 . . . . 0.0 112.338 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.29 46.23 51.98 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.455 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.3 m -150.58 114.46 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.708 0.289 . . . . 0.0 111.184 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.441 ' NH1' ' OE1' ' A' ' 99' ' ' GLU . 31.7 mtt180 -58.01 145.99 34.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -134.46 147.07 50.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.4 t -107.49 107.99 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.541 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 84.5 m-85 -92.76 153.07 19.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -154.43 112.72 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 84' ' ' ARG . 51.1 t -100.52 146.61 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.595 ' HG2' ' CE1' ' A' ' 94' ' ' PHE . 6.0 ppt_? -153.83 154.67 34.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -105.96 139.22 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.409 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 6.1 ttt85 -117.95 115.81 25.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 88' ' ' SER . 37.8 p -109.07 136.93 47.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 87' ' ' THR . 48.6 p -34.6 -42.88 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.74 -60.81 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -156.51 -154.65 7.1 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.498 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 13.9 m -131.11 142.64 50.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.368 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -104.68 153.45 17.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -54.53 176.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.595 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 9.7 m-85 -92.67 139.97 30.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 55.6 p -51.95 168.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -52.08 145.12 10.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.44 105.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.465 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 1.9 tpt -86.39 145.17 26.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 98' ' ' MET . 31.1 mt-10 -122.55 125.49 45.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.6 t -141.44 132.95 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -106.89 133.87 50.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.9 p -82.2 174.32 11.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -86.82 129.97 9.74 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.4 mttt . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.565 0.697 . . . . 0.0 110.873 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.817 0.341 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.04 148.42 67.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.572 0.701 . . . . 0.0 111.062 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 168.87 20.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.226 . . . . 0.0 112.367 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -70.6 177.65 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -109.71 117.64 34.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.14 113.34 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -110.7 17.0 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.1 t -120.64 105.16 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 18' ' ' ARG . 68.3 mt -141.02 132.99 29.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' LEU . 11.4 mtp180 -141.27 151.85 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.52 119.2 38.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -76.15 -54.85 6.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -149.72 137.22 19.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.96 102.07 11.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.88 -171.84 43.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -69.48 -56.51 7.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.3 p -117.8 16.09 14.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.2 p -145.25 150.12 36.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.0 t -142.87 145.98 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.9 t -103.44 156.01 18.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.458 HD11 ' CD2' ' A' ' 81' ' ' PHE . 44.1 mt -135.54 153.55 51.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' ARG . 4.8 mt -137.44 120.44 16.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.511 ' CH2' HD13 ' A' ' 46' ' ' ILE . 17.3 p90 -145.3 140.93 28.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -92.44 173.77 7.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.91 148.26 98.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.75 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' GLU . 54.3 Cg_endo -69.68 142.0 47.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.277 . . . . 0.0 112.399 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' PRO . 31.5 mt-10 -36.32 -65.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -128.4 102.46 20.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -21.63 32.95 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 57.16 40.68 28.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.51 -147.78 19.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.549 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 41' ' ' ILE . 16.6 mm -111.58 143.12 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.471 ' N ' HG23 ' A' ' 40' ' ' ILE . 28.5 mt -107.09 118.91 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.132 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.86 -50.15 63.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -162.7 155.08 18.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.446 ' CE1' ' HB1' ' A' ' 85' ' ' ALA . 49.1 m-85 -96.31 111.53 23.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.19 131.51 38.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.511 HD13 ' CH2' ' A' ' 31' ' ' TRP . 23.6 mt -117.08 124.75 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -101.36 118.25 36.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -127.91 122.27 32.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.532 ' CZ ' ' HB ' ' A' ' 80' ' ' VAL . 31.9 p90 -137.2 158.25 44.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.539 ' HG3' ' CE1' ' A' ' 79' ' ' TYR . 3.8 mt-10 -71.3 104.89 3.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 50' ' ' GLU . 35.7 tptt -32.97 -43.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.879 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.0 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.939 0.399 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.8 m -121.65 146.27 47.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 62' ' ' LYS . 6.3 tp -136.56 150.31 48.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.439 ' N ' ' HG ' ' A' ' 61' ' ' LEU . 7.8 mptt -110.1 133.24 53.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.51 133.83 46.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -92.05 -32.59 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -100.36 172.2 7.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.434 ' N ' ' OG1' ' A' ' 65' ' ' THR . 32.5 p -80.36 13.54 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -142.96 118.17 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.49 158.39 43.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.5 m -129.0 104.53 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.23 120.62 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.5 p -113.99 159.24 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.53 44.37 5.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.565 HD22 ' CE1' ' A' ' 79' ' ' TYR . 16.6 mt -113.02 173.6 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -108.42 142.82 26.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 161.51 45.63 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.51 53.3 7.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.468 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.4 m -155.12 120.31 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.75 0.309 . . . . 0.0 111.137 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.5 mtt-85 -60.07 142.88 53.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE1' HD22 ' A' ' 73' ' ' LEU . 15.6 m-85 -134.24 141.14 46.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.532 ' HB ' ' CZ ' ' A' ' 49' ' ' TYR . 17.4 t -111.13 114.65 47.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.458 ' CD2' HD11 ' A' ' 29' ' ' LEU . 49.0 m-85 -99.36 151.47 21.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -152.58 105.97 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.438 HG12 ' CD2' ' A' ' 31' ' ' TRP . 40.1 t -89.42 149.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.41 ' N ' HG13 ' A' ' 83' ' ' VAL . 24.4 ptt180 -156.23 154.98 31.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.446 ' HB1' ' CE1' ' A' ' 44' ' ' TYR . . . -99.32 142.41 30.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -126.49 136.0 52.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 81.4 p -128.08 151.2 49.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.7 p -43.01 -36.83 1.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.79 -63.31 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -156.56 -161.93 11.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.35 142.22 50.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.43 162.51 28.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -65.16 148.56 51.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -67.23 170.86 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -94.8 175.81 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -53.76 139.04 34.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.36 104.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.5 ttp -83.11 156.37 23.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -124.48 123.95 41.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.2 t -145.9 131.85 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -104.63 146.9 28.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.2 p -91.75 178.0 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.37 118.18 5.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 110.876 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.783 0.325 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.13 160.51 1.2 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.534 0.683 . . . . 0.0 111.141 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -164.86 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.5 t -107.3 170.92 7.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -103.94 112.51 25.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -53.51 127.15 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.3 m -115.84 17.55 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.1 t -128.2 109.04 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.9 mt -141.28 140.77 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 30' ' ' LEU . 55.3 mtt180 -139.4 171.46 14.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -118.82 104.92 11.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.466 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 6.7 mm-40 -68.31 -46.25 70.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.416 ' CG ' ' HB3' ' A' ' 28' ' ' SER . 11.0 ptt85 -152.14 148.78 28.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.84 118.43 19.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.27 -156.54 11.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -74.24 -66.61 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 p -111.04 17.35 20.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 p -136.86 147.01 46.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.3 t -152.61 128.14 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.416 ' HB3' ' CG ' ' A' ' 21' ' ' ARG . 37.4 t -98.36 137.35 37.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.5 mt -121.24 160.5 23.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.529 ' CD2' ' HG3' ' A' ' 67' ' ' ARG . 4.6 mt -141.83 122.55 14.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 37.9 p90 -139.65 140.03 36.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -90.94 166.65 12.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -52.72 144.94 23.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.657 0.742 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HG3' ' CD1' ' A' ' 41' ' ' ILE . 53.8 Cg_endo -69.75 -164.72 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -132.88 116.22 16.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.55 ' N ' ' CD ' ' A' ' 37' ' ' PRO . 15.5 mt-30 67.98 48.03 0.41 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 53.6 Cg_endo -69.8 5.43 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 57.85 36.1 26.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.39 -179.91 16.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.2 mp -71.87 149.84 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.4 ' CD1' ' HG3' ' A' ' 34' ' ' PRO . 16.2 mt -106.84 120.02 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.5 mt -56.68 -61.16 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.23 174.54 11.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -119.04 143.01 47.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -105.64 140.37 38.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.9 mt -123.02 117.28 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -108.87 121.48 45.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.504 ' CZ ' HG13 ' A' ' 70' ' ' VAL . 2.2 p90 -127.46 130.07 48.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 4.0 p90 -137.74 165.72 25.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.15 112.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -49.82 -52.95 28.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.3 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.893 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.943 0.402 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.9 p -104.21 127.16 51.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.167 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.0 tp -111.54 126.85 55.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -94.29 124.86 38.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -131.13 128.2 39.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.405 HG21 ' N ' ' A' ' 65' ' ' THR . 27.4 m -77.82 -35.66 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.528 ' HG1' ' N ' ' A' ' 66' ' ' THR . 5.1 t -99.07 157.4 16.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.528 ' N ' ' HG1' ' A' ' 65' ' ' THR . 13.2 p -61.25 -2.14 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.529 ' HG3' ' CD2' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -111.0 128.13 55.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.02 151.33 33.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 93.0 m -129.22 120.76 26.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.504 HG13 ' CZ ' ' A' ' 48' ' ' TYR . 97.7 t -82.94 113.68 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.6 p -112.56 161.73 16.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.19 39.83 8.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.443 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.421 HD21 ' CD2' ' A' ' 48' ' ' TYR . 23.8 mt -107.96 169.15 8.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.362 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -92.33 135.04 27.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 145.23 56.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.338 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.37 49.97 68.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.0 m -151.64 112.66 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 111.148 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -54.28 137.19 41.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -129.09 151.84 49.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.8 t -113.15 105.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.115 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -88.01 148.3 24.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -148.4 106.22 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 84' ' ' ARG . 57.4 t -93.23 144.59 9.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.463 ' N ' HG12 ' A' ' 83' ' ' VAL . 15.3 ptt85 -151.8 156.95 41.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.407 ' O ' ' NH1' ' A' ' 84' ' ' ARG . . . -98.44 148.04 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -129.73 113.37 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 38.2 p -103.54 163.68 12.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.8 p -51.87 -44.72 63.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.3 -59.73 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.32 -134.96 1.78 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 74.1 m -135.11 148.04 49.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.34 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.8 -146.76 21.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -107.94 157.67 18.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.94 142.52 40.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.0 p -60.93 175.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -59.06 138.16 57.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.87 113.45 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.1 ttt -101.37 146.11 28.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -116.01 124.67 51.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 94.5 t -139.13 140.13 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -110.6 131.41 55.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.2 p -79.07 177.78 8.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.99 123.09 6.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.529 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.4 mttt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.827 -179.946 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.797 0.332 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.03 155.78 84.41 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.552 0.692 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 161.13 47.11 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.694 2.262 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -69.67 174.45 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -105.31 116.11 31.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 95' ' ' SER . 87.5 t -52.79 120.33 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.5 m -117.89 17.81 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.438 HG12 ' CG ' ' A' ' 32' ' ' GLN . 3.0 p -128.22 113.68 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.5 mt -142.21 147.65 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -143.8 163.32 33.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -111.85 114.57 27.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.414 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 6.3 mm-40 -78.96 -62.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -153.65 118.93 5.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.81 102.04 13.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 26' ' ' SER . . . -71.54 177.07 37.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.443 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -60.23 -54.88 40.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.891 0.377 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.7 p -111.83 14.83 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' GLY . 39.2 p -153.41 174.21 14.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 70' ' ' VAL . 2.5 p -163.96 157.85 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.459 ' N ' ' CG2' ' A' ' 27' ' ' VAL . 37.4 t -120.38 136.62 54.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.9 mt -115.56 165.66 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 67' ' ' ARG . 5.8 mt -142.32 122.99 14.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -145.72 133.53 21.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.438 ' CG ' HG12 ' A' ' 16' ' ' VAL . 2.7 pt20 -91.69 160.73 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -52.04 148.75 10.43 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 157.87 58.97 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.718 2.278 . . . . 0.0 112.33 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -46.11 -51.2 14.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -140.49 102.02 6.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -19.4 36.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.746 2.297 . . . . 0.0 112.348 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 52.08 42.54 30.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.22 -163.07 25.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.441 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.453 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp -98.21 130.67 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 111.093 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.1 mt -92.01 121.41 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.75 -52.77 58.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -167.2 158.27 11.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -98.43 117.4 32.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -84.35 132.59 34.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.2 mt -120.54 111.15 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -99.83 119.09 37.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.558 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 30.9 p90 -128.9 124.86 36.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 6.5 p90 -132.48 156.68 46.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.543 ' HG3' ' CE1' ' A' ' 79' ' ' TYR . 4.5 mt-10 -53.59 105.48 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.414 ' CE ' ' OE2' ' A' ' 99' ' ' GLU . 22.1 tptp -46.64 -50.36 17.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 179.914 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.947 0.403 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.3 p -108.98 158.45 17.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.5 tp -130.85 126.85 37.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.43 120.48 32.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.53 128.39 46.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.5 m -82.74 -32.55 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -98.44 169.78 9.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.9 p -76.94 5.54 7.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.471 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 61.0 mtt85 -131.97 119.46 21.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.95 154.26 49.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.2 m -116.62 105.89 12.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' VAL . 53.6 t -67.7 114.45 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 t -119.5 153.02 35.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.71 55.02 2.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.492 ' CD1' HG11 ' A' ' 70' ' ' VAL . 7.7 mt -126.47 176.71 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 110.913 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -103.99 140.85 21.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.607 0.718 . . . . 0.0 110.834 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 137.3 35.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.396 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.88 50.19 68.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.499 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.8 m -148.96 113.27 5.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.35 . . . . 0.0 111.109 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -55.97 145.36 25.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.543 ' CE1' ' HG3' ' A' ' 50' ' ' GLU . 24.9 m-85 -140.1 131.45 26.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.7 t -89.64 112.67 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 71.6 m-85 -96.72 145.09 26.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 96' ' ' GLN . 12.7 mm100 -147.43 111.98 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.95 151.18 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.444 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -145.95 171.97 14.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.05 120.33 23.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.7 ttp85 -117.22 131.93 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.9 p -121.07 163.24 18.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.3 p -54.19 -41.25 68.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.92 -60.18 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.53 -165.81 13.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 2.0 t -122.82 160.37 26.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -107.13 -157.02 20.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.478 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -113.18 177.67 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 84' ' ' ARG . 4.3 m-85 -92.9 134.3 35.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 10.4 t -59.35 174.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.406 ' O ' ' OE1' ' A' ' 82' ' ' GLN . 24.4 mt-30 -54.93 139.23 41.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.03 102.93 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.6 ttt -86.91 142.02 28.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.426 ' C ' HG23 ' A' ' 100' ' ' VAL . 85.6 mt-10 -120.35 123.42 43.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.426 HG23 ' C ' ' A' ' 99' ' ' GLU . 75.9 t -141.23 131.98 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -104.73 118.73 37.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.5 p -52.06 179.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.91 110.87 3.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.931 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.807 0.337 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.01 152.19 51.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 157.93 58.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.253 . . . . 0.0 112.295 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t -66.49 135.54 54.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.437 ' CD ' ' O ' ' A' ' 94' ' ' PHE . 12.4 tt0 -67.08 113.96 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.3 t -53.72 121.35 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 m -116.06 17.92 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.8 p -128.47 111.82 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 18' ' ' ARG . 77.3 mt -142.11 137.6 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.462 ' N ' HG22 ' A' ' 17' ' ' ILE . 11.3 mtp180 -132.61 153.61 50.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.467 ' NE2' HG11 ' A' ' 100' ' ' VAL . 2.8 tt0 -101.39 108.94 20.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.17 -61.75 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -156.85 138.44 14.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.78 106.08 16.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.84 176.0 22.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -56.6 132.72 52.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 72' ' ' GLY . 12.2 p 39.73 31.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -155.16 158.22 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.7 t -157.66 131.37 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 t -100.72 132.3 46.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.1 mt -115.93 156.53 26.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.418 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 7.2 tp -141.35 111.01 6.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -132.05 135.74 46.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -91.25 160.14 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -52.51 143.94 25.86 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.7 0.762 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -178.2 2.22 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -73.6 -66.67 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -111.8 102.02 52.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -23.77 30.46 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 52.59 46.09 27.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.53 -169.99 16.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mp -86.95 127.22 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.5 mt -89.44 102.38 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.1 mt -53.6 -57.77 9.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -156.84 173.2 17.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -108.1 156.44 19.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.476 ' HG2' ' CG2' ' A' ' 60' ' ' THR . 4.0 tt0 -120.31 129.52 54.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.2 mt -117.45 120.17 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -104.43 123.3 47.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.484 ' CD2' HG11 ' A' ' 70' ' ' VAL . 45.5 p90 -131.52 135.94 47.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 6.9 p90 -153.36 155.58 36.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -52.63 109.93 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -50.96 -51.74 49.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.968 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.824 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.426 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 33.1 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.933 0.396 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.476 ' CG2' ' HG2' ' A' ' 45' ' ' GLU . 4.5 m -117.31 147.51 42.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.1 tp -129.01 126.64 39.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -90.6 146.02 24.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.99 131.42 19.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.0 m -83.45 -37.04 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t -95.73 172.18 8.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.2 p -80.0 13.89 2.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.418 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 22.5 mtp180 -135.91 130.33 33.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.47 160.95 43.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.1 m -136.51 102.3 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.484 HG11 ' CD2' ' A' ' 48' ' ' TYR . 88.8 t -68.71 102.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.1 m -102.21 161.65 13.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' THR . . . 84.91 47.91 5.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.6 mt -117.96 176.24 5.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -83.74 129.95 57.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 110.917 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 145.33 56.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.24 . . . . 0.0 112.34 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.56 44.42 85.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 96.7 m -145.25 120.95 10.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.8 0.333 . . . . 0.0 111.133 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.9 mtt85 -58.07 140.48 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -131.73 141.42 49.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -102.36 109.04 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -92.64 156.83 16.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -157.78 104.4 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 84' ' ' ARG . 87.3 t -90.08 152.16 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.579 ' CZ ' ' CZ ' ' A' ' 94' ' ' PHE . 10.5 ptt180 -159.05 155.4 27.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.81 139.07 37.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -125.78 116.85 22.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 88' ' ' SER . 77.4 p -104.84 147.65 27.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 87' ' ' THR . 13.5 m -36.52 -42.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.22 -60.57 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -163.92 -137.02 2.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.8 t -143.47 128.62 18.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.35 -143.5 2.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -109.83 169.27 8.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.579 ' CZ ' ' CZ ' ' A' ' 84' ' ' ARG . 9.3 m-85 -85.54 163.69 18.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.7 t -81.54 171.81 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -54.08 143.04 23.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.06 102.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.488 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 0.3 OUTLIER -85.54 146.21 27.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 98' ' ' MET . 37.8 mt-10 -123.17 123.46 40.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 101' ' ' GLU . 71.1 t -151.15 139.7 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.469 ' N ' HG13 ' A' ' 100' ' ' VAL . 9.9 tt0 -104.6 148.1 26.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 81.8 p -83.68 177.6 8.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.86 116.62 4.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.512 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.908 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.856 0.36 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.58 162.11 37.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 169.15 19.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.8 t -80.47 165.35 22.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -90.79 112.61 24.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.1 t -54.13 123.59 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 m -117.59 17.68 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.448 HG13 ' CG ' ' A' ' 32' ' ' GLN . 2.6 p -127.83 106.32 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.6 mt -142.32 134.23 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -138.46 170.97 15.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.434 ' NE2' HG13 ' A' ' 100' ' ' VAL . 3.4 tt0 -120.31 110.73 16.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.5 ' HG3' ' HG ' ' A' ' 30' ' ' LEU . 34.5 mt-10 -70.81 -53.47 15.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.7 mtt85 -148.06 130.94 16.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.47 102.92 10.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.055 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.84 -161.21 31.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -83.69 -47.26 11.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.7 p -117.12 17.57 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.0 p -151.1 159.23 44.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.5 t -156.31 136.19 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.7 t -103.18 145.8 29.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.9 mt -130.7 141.64 50.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.5 ' HG ' ' HG3' ' A' ' 20' ' ' GLU . 6.1 mt -122.43 123.74 42.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -145.43 135.16 23.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.448 ' CG ' HG13 ' A' ' 16' ' ' VAL . 5.6 pt20 -92.78 162.68 14.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -56.15 145.21 56.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.626 0.727 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 153.21 69.06 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.258 . . . . 0.0 112.298 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -41.56 -62.53 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -127.81 102.0 22.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -18.84 36.58 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 53.31 46.14 27.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.15 165.09 11.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -69.49 114.23 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.3 mt -72.84 121.98 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.6 mt -66.21 -57.64 7.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -165.2 163.42 20.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 64.5 m-85 -103.15 134.45 46.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -107.96 129.3 55.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.4 mt -109.7 123.98 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.558 ' HD3' ' CZ ' ' A' ' 94' ' ' PHE . 41.0 tttt -109.06 117.47 34.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.563 ' CE2' HD23 ' A' ' 73' ' ' LEU . 25.4 p90 -126.31 119.64 27.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -128.16 164.83 21.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 51' ' ' LYS . 6.1 mt-10 -60.98 103.67 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 50' ' ' GLU . 20.3 tptm -35.27 -50.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.542 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 17.6 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.952 0.406 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.3 m -115.63 149.63 38.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.7 tp -130.59 145.43 51.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -114.51 125.75 54.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.85 128.63 41.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.8 m -84.89 -32.4 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -96.29 172.5 7.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.448 ' N ' ' OG1' ' A' ' 65' ' ' THR . 22.3 p -77.1 8.07 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.174 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -129.31 127.03 40.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.67 158.94 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.8 m -136.71 101.98 4.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.456 HG12 ' CE1' ' A' ' 48' ' ' TYR . 71.6 t -68.64 115.79 7.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.2 p -114.18 162.04 17.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.3 40.8 8.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.563 HD23 ' CE2' ' A' ' 48' ' ' TYR . 47.5 mt -104.42 169.04 8.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -96.29 135.95 22.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 110.908 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 160.35 50.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.254 . . . . 0.0 112.374 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.62 41.47 9.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.8 m -144.59 119.12 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 111.156 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -63.6 140.96 58.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -132.38 141.32 48.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.5 t -105.15 107.32 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -85.55 152.14 23.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.557 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 85.8 mt-30 -156.83 105.77 2.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.431 HG11 ' N ' ' A' ' 84' ' ' ARG . 41.8 t -89.57 144.18 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.551 ' HD3' ' CE1' ' A' ' 94' ' ' PHE . 7.8 ptt85 -142.78 139.94 31.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.434 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -99.66 125.77 45.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -112.77 146.81 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 36.5 p -128.25 163.83 23.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.8 t -48.83 -43.01 38.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.89 -61.2 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.99 -166.14 20.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 29.3 p -126.25 148.35 49.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.05 -179.6 26.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.541 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -68.73 165.37 19.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.558 ' CZ ' ' HD3' ' A' ' 47' ' ' LYS . 11.6 m-85 -58.32 172.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.8 p -81.36 -70.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -161.29 164.54 30.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.27 102.13 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.445 ' HE3' ' CG2' ' A' ' 100' ' ' VAL . 7.8 ttt -106.29 130.33 54.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -102.16 124.49 47.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.445 ' CG2' ' HE3' ' A' ' 98' ' ' MET . 99.5 t -136.3 134.22 49.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -107.21 122.02 45.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.3 p -72.83 160.56 31.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.175 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.76 132.91 52.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.543 0.687 . . . . 0.0 110.904 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.839 0.352 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.8 163.34 49.38 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 171.89 13.64 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.643 2.229 . . . . 0.0 112.324 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 t -93.75 127.79 39.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -57.13 125.54 23.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.446 ' O ' ' CB ' ' A' ' 95' ' ' SER . 83.9 t -66.69 123.88 20.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.2 m -116.67 18.0 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.5 p -126.27 104.55 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.415 ' C ' ' HG3' ' A' ' 18' ' ' ARG . 83.2 mt -142.89 141.84 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.415 ' HG3' ' C ' ' A' ' 17' ' ' ILE . 6.5 mtp85 -141.27 171.72 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.493 ' CG ' ' HB1' ' A' ' 22' ' ' ALA . 4.3 tt0 -105.37 130.01 53.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.473 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 1.6 mm-40 -97.99 -70.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -97.62 -66.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB1' ' CG ' ' A' ' 19' ' ' GLN . . . 67.98 42.32 1.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' ALA . . . -53.98 -167.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -74.87 -60.29 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.948 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.6 p -101.12 13.37 35.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.4 p -147.22 153.88 40.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.9 t -151.65 139.45 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.0 t -115.08 137.27 52.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.4 mt -116.86 143.04 46.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.501 ' CD2' ' HG3' ' A' ' 67' ' ' ARG . 3.6 mt -120.22 120.88 37.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -140.42 134.13 30.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -91.35 167.42 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -52.12 137.33 37.91 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.647 0.737 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.8 Cg_endo -69.79 155.63 65.33 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' PRO . 22.8 mt-10 -35.79 -67.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -137.66 101.97 8.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -5.15 15.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.338 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 52.1 40.78 29.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.39 -144.42 16.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 41' ' ' ILE . 16.3 mm -111.08 138.41 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 111.118 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.453 ' N ' HG22 ' A' ' 40' ' ' ILE . 46.1 mt -102.61 107.71 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.0 mt -51.12 -59.54 4.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -149.43 158.56 44.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -100.14 113.95 26.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.47 ' HG2' ' CG2' ' A' ' 60' ' ' THR . 9.6 tt0 -83.53 129.69 34.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.9 mt -114.41 127.4 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -109.94 119.36 39.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.509 ' CG ' HG12 ' A' ' 70' ' ' VAL . 48.2 p90 -131.81 135.0 46.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -151.74 162.88 40.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.17 109.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -48.01 -54.98 11.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.869 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.449 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 70.0 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.96 0.409 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.47 ' CG2' ' HG2' ' A' ' 45' ' ' GLU . 14.9 m -117.16 140.16 49.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.2 tp -125.49 128.31 47.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -96.72 141.34 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.405 ' CB ' ' HB1' ' A' ' 68' ' ' ALA . . . -142.56 128.09 19.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.112 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.0 m -78.56 -30.11 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.449 ' C ' ' H ' ' A' ' 67' ' ' ARG . 8.8 t -100.85 153.72 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.7 p -58.86 -5.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.501 ' HG3' ' CD2' ' A' ' 30' ' ' LEU . 2.2 mpt_? -114.87 121.72 44.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.405 ' HB1' ' CB ' ' A' ' 63' ' ' ALA . . . -135.29 163.93 28.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.0 m -141.59 110.59 6.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.509 HG12 ' CG ' ' A' ' 48' ' ' TYR . 49.5 t -80.0 107.48 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.7 m -107.28 161.64 14.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.95 39.9 7.3 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.8 mt -112.98 173.65 6.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -96.77 138.88 21.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.55 0.69 . . . . 0.0 110.948 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 160.58 49.18 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.08 47.29 10.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 98.8 m -146.14 117.1 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 0.0 111.192 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -61.38 139.53 58.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -133.01 145.82 51.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 41.8 t -104.9 104.52 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -89.33 146.13 24.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -148.51 102.46 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 84' ' ' ARG . 49.8 t -89.82 140.79 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.441 ' N ' HG11 ' A' ' 83' ' ' VAL . 41.3 ptt85 -141.47 161.59 37.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.806 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.452 ' CB ' HG22 ' A' ' 41' ' ' ILE . . . -108.69 132.92 53.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -108.91 135.65 49.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.5 p -128.32 147.55 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.6 p -49.49 -37.56 26.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.97 76.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.47 -142.17 3.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 28.0 p -140.21 157.57 45.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -102.41 -116.81 4.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -142.72 150.26 39.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -65.15 141.97 58.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 88.1 p -57.18 169.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.85 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -54.77 148.98 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.3 105.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.435 ' HE3' ' CG2' ' A' ' 100' ' ' VAL . 10.4 ttt -100.02 131.26 46.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -106.45 124.07 49.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.435 ' CG2' ' HE3' ' A' ' 98' ' ' MET . 95.7 t -137.76 131.66 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -106.07 118.1 35.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.0 p -67.66 155.61 38.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -49.0 125.2 14.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.4 mttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.526 0.679 . . . . 0.0 110.903 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.791 0.329 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.71 152.0 87.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 178.69 4.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.0 t -94.75 179.56 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 95' ' ' SER . 30.3 tt0 -108.49 130.47 55.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.425 HG23 ' HB3' ' A' ' 95' ' ' SER . 28.6 m -82.99 109.88 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.38 17.99 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.507 ' CG1' ' HG2' ' A' ' 32' ' ' GLN . 2.3 p -119.03 106.72 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.085 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.7 mt -142.9 132.7 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -130.43 161.27 31.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -107.57 104.26 13.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.49 -54.47 39.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 12.1 mtp-105 -155.05 132.74 11.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.43 103.03 14.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' SER . . . -80.12 173.55 54.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.63 -46.63 65.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.3 p -117.95 14.61 14.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.08 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 23' ' ' GLY . 19.9 m -153.33 152.04 30.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.4 t -135.1 138.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.7 t -105.37 138.19 41.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.428 HD13 ' CD1' ' A' ' 81' ' ' PHE . 67.0 mt -115.42 174.72 5.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.3 tp -157.85 109.47 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.406 ' CH2' HD11 ' A' ' 46' ' ' ILE . 31.8 p90 -129.38 167.75 17.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.946 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.507 ' HG2' ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -132.2 160.06 37.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -52.03 144.23 21.4 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.639 0.733 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 174.06 10.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.22 -39.83 86.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.407 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 59.6 mt-30 -141.62 102.0 5.98 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.8 Cg_endo -69.73 -18.58 37.08 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 54.71 42.76 30.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.59 -161.08 24.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mp -97.02 126.39 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 75.1 mt -96.77 119.63 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.11 -65.85 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.476 ' C ' ' CD ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -143.69 175.15 10.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 85' ' ' ALA . 52.7 m-85 -119.31 120.82 38.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.502 ' OE2' ' N ' ' A' ' 61' ' ' LEU . 6.1 tp10 -86.97 143.38 27.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.406 HD11 ' CH2' ' A' ' 31' ' ' TRP . 15.2 mt -121.24 120.57 62.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . 80.0 tttt -99.86 117.45 34.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.526 ' CG ' HG11 ' A' ' 70' ' ' VAL . 54.8 p90 -132.84 122.95 25.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -140.1 165.16 28.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.63 112.84 4.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -54.25 -49.62 69.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.861 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.967 0.413 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 p -114.39 129.25 56.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.502 ' N ' ' OE2' ' A' ' 45' ' ' GLU . 11.0 tp -116.86 130.05 56.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -92.01 136.75 32.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.33 128.32 18.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.7 m -83.59 -33.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.42 167.2 11.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.6 p -81.98 16.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -140.43 125.81 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.95 165.77 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.5 m -132.65 107.14 8.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.526 HG11 ' CG ' ' A' ' 48' ' ' TYR . 98.6 t -70.05 106.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.6 m -111.11 143.52 41.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.66 46.56 0.96 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.556 HD23 ' CE1' ' A' ' 79' ' ' TYR . 8.6 mt -121.06 177.61 5.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -99.56 142.59 24.89 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.589 0.709 . . . . 0.0 110.882 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 162.53 41.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.374 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 39.42 47.95 2.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.0 m -145.37 116.49 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 111.146 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -57.28 145.69 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.556 ' CE1' HD23 ' A' ' 73' ' ' LEU . 9.8 m-85 -135.06 161.48 35.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.2 t -124.37 112.11 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.428 ' CD1' HD13 ' A' ' 29' ' ' LEU . 96.9 m-85 -101.26 153.41 19.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.536 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 26.3 mt-30 -156.4 118.12 3.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.429 HG11 ' N ' ' A' ' 84' ' ' ARG . 96.4 t -99.09 135.73 33.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.429 ' N ' HG11 ' A' ' 83' ' ' VAL . 37.6 ptt180 -142.7 152.44 42.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.56 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . . . -98.34 121.53 40.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.433 ' NE ' ' HG ' ' A' ' 91' ' ' CYS . 23.7 ttm180 -101.92 116.95 33.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 88' ' ' SER . 82.7 p -113.57 143.6 44.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 87' ' ' THR . 77.6 p -35.12 -38.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.45 -54.1 49.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.14 177.36 47.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.433 ' HG ' ' NE ' ' A' ' 86' ' ' ARG . 71.0 m -81.53 159.97 24.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -111.91 166.23 12.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -68.74 144.17 54.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.536 ' CD1' ' HB3' ' A' ' 82' ' ' GLN . 6.8 m-85 -62.24 131.28 48.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 25.9 p -37.91 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.511 ' CG ' ' O ' ' A' ' 95' ' ' SER . 18.8 mt-30 -168.52 159.27 10.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.19 102.01 8.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.468 ' HE2' ' CG2' ' A' ' 100' ' ' VAL . 4.6 ttt -107.31 126.19 52.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -99.07 123.87 43.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.468 ' CG2' ' HE2' ' A' ' 98' ' ' MET . 71.8 t -136.38 131.77 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -103.54 125.15 49.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.7 p -71.89 159.28 34.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.44 126.51 34.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.6 mttt . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.564 0.697 . . . . 0.0 110.873 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.817 0.341 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.44 145.93 18.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.552 0.692 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.448 ' HA ' ' OD1' ' A' ' 38' ' ' ASN . 54.2 Cg_endo -69.79 137.62 35.79 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 36' ' ' GLN . 3.2 m -59.5 159.78 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -82.86 148.08 27.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.51 ' O ' ' CB ' ' A' ' 95' ' ' SER . 52.9 t -94.02 123.18 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.0 m -112.62 13.44 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.48 ' CG1' ' HG2' ' A' ' 32' ' ' GLN . 85.5 t -118.88 105.46 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -142.3 132.08 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -130.45 152.79 49.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.451 ' NE2' ' HB2' ' A' ' 22' ' ' ALA . 46.7 tt0 -96.36 111.46 23.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -76.75 -59.69 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -156.9 120.56 4.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB2' ' NE2' ' A' ' 19' ' ' GLN . . . -101.66 102.08 12.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 26' ' ' SER . . . -71.83 -177.72 28.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -64.2 -52.76 57.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.9 p -114.51 15.92 17.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' GLY . 31.3 p -153.74 171.95 18.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 70' ' ' VAL . 2.7 p -163.19 152.97 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.1 t -117.25 143.24 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.9 mt -120.39 171.61 8.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.448 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 7.8 tp -154.13 107.31 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 43.3 p90 -123.45 149.66 44.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.964 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.48 ' HG2' ' CG1' ' A' ' 16' ' ' VAL . 5.9 pt20 -98.33 157.98 15.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -52.47 146.91 15.55 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.643 0.735 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' GLN . 53.5 Cg_endo -69.82 139.79 40.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' PRO . 42.0 mt-10 -34.5 -34.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.504 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 8.5 mt-30 -151.11 102.04 2.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.504 ' OD1' ' O ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER 53.06 38.9 28.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.31 -165.08 14.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.9 mp -81.71 129.01 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 111.15 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.0 mt -96.2 125.8 48.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt -68.01 -53.33 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -166.43 166.31 16.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.44 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 58.3 m-85 -106.15 140.08 39.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.56 135.08 45.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.3 mt -118.97 107.5 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -103.16 124.19 48.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.574 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 3.9 p90 -133.55 132.87 41.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -132.81 170.79 14.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' LYS . 3.5 mt-10 -64.55 102.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 50' ' ' GLU . 22.4 tptp -36.62 -47.34 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.858 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.555 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 15.3 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.927 0.394 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 m -96.08 127.56 42.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.217 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tp -107.66 141.89 38.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -106.55 118.29 36.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.63 128.37 44.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.2 m -79.23 -35.74 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.6 t -97.33 172.59 7.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.5 p -76.64 7.66 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.448 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 18.5 mtp180 -125.95 133.0 51.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.66 163.36 36.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.1 m -127.44 103.21 7.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 27' ' ' VAL . 73.8 t -67.18 103.86 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.489 ' HG ' ' N ' ' A' ' 72' ' ' GLY . 28.7 t -112.8 158.09 20.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.489 ' N ' ' HG ' ' A' ' 71' ' ' SER . . . 84.74 56.41 2.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.475 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 mt -127.77 177.79 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.898 0.38 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -103.93 140.5 21.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.535 0.683 . . . . 0.0 110.928 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 138.75 38.47 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.35 49.84 74.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.3 m -146.96 110.99 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 111.138 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -52.44 149.52 5.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -146.88 133.04 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 82.3 t -95.08 106.87 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 94.7 m-85 -91.09 153.82 19.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -157.13 110.14 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 84' ' ' ARG . 45.4 t -89.01 143.25 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.47 ' N ' HG13 ' A' ' 83' ' ' VAL . 1.3 ptp180 -142.65 160.5 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.44 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -107.52 143.3 36.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ttt85 -128.05 130.94 49.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 88' ' ' SER . 23.8 p -123.29 149.57 44.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 87' ' ' THR . 41.9 t -37.93 -47.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.51 -65.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -159.26 -141.06 3.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.6 m -131.76 159.47 38.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -100.43 -121.33 4.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -134.17 156.26 48.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.424 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 3.4 m-85 -75.0 132.3 41.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 27.3 p -52.21 178.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -60.55 148.4 38.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.58 106.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.413 ' HG2' ' N ' ' A' ' 99' ' ' GLU . 2.1 ttt -95.37 142.63 27.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.413 ' N ' ' HG2' ' A' ' 98' ' ' MET . 29.6 mt-10 -120.51 124.05 44.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 79.5 t -144.99 131.54 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -100.75 120.46 40.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.6 p -52.38 -179.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.05 108.6 2.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.2 mttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 110.835 -179.955 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.79 0.328 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 153.56 89.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.726 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -174.91 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.42 ' CB ' ' H ' ' A' ' 36' ' ' GLN . 7.6 t -90.98 131.61 36.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -57.4 108.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -52.01 102.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.403 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 0.5 OUTLIER -100.77 -2.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 32' ' ' GLN . 33.4 t -92.55 104.77 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.9 mt -142.68 124.31 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -133.34 160.47 37.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -105.73 103.06 12.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -65.7 -58.6 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -141.78 169.07 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -151.46 122.75 7.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.21 -147.27 17.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -89.63 -53.19 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.4 p -117.76 17.96 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.8 p -141.91 160.74 39.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.7 t -154.96 132.33 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.4 t -96.94 135.84 38.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.56 HD12 ' CD1' ' A' ' 81' ' ' PHE . 30.3 mt -121.69 140.59 52.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.475 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 9.6 tp -128.29 109.5 11.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.462 ' CH2' HD11 ' A' ' 46' ' ' ILE . 43.5 p90 -121.2 144.75 48.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.481 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . 9.6 mt-30 -94.65 161.77 14.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -57.71 160.63 7.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.695 0.759 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' GLN . 54.4 Cg_endo -69.71 122.12 8.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' PRO . 20.9 mt-10 -32.6 -35.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 34' ' ' PRO . 20.2 mt-30 -148.67 102.26 3.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.579 0.704 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -34.56 14.17 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.256 . . . . 0.0 112.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 56.56 35.65 26.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.68 -156.28 26.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mp -101.36 141.82 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.5 mt -107.76 132.0 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mt -81.21 -60.01 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -161.37 170.51 19.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.553 ' CE2' ' HB1' ' A' ' 85' ' ' ALA . 83.3 m-85 -109.49 149.13 30.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -119.38 144.2 47.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.462 HD11 ' CH2' ' A' ' 31' ' ' TRP . 13.2 mt -126.6 118.18 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -103.43 119.17 38.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -124.73 132.02 53.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 4.1 p90 -149.34 167.07 27.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -69.71 102.28 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -46.26 -31.35 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.473 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 21.9 t70 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.946 0.403 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.3 m -133.4 146.09 50.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 tp -122.49 155.23 36.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -120.18 133.83 55.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.71 133.06 23.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.4 m -86.9 -31.51 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.9 t -97.82 166.69 11.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.1 p -81.0 17.97 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.475 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 33.0 mtm180 -136.64 123.86 21.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.74 151.26 32.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.4 m -124.53 105.78 9.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.2 t -64.94 108.74 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 t -111.12 155.43 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.99 40.2 4.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 mt -112.93 164.75 13.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -88.33 142.41 31.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.569 0.699 . . . . 0.0 110.932 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 150.06 67.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.258 . . . . 0.0 112.33 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 53.57 45.28 67.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 39.6 m -145.96 107.66 4.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 111.132 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -54.72 146.64 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -139.94 130.17 25.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.449 HG21 ' CB ' ' A' ' 51' ' ' LYS . 99.5 t -90.3 119.5 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.56 ' CD1' HD12 ' A' ' 29' ' ' LEU . 96.0 m-85 -101.93 151.83 21.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.503 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 47.0 mt-30 -150.71 115.06 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 84' ' ' ARG . 62.1 t -106.28 143.77 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.555 ' HD3' ' CD1' ' A' ' 94' ' ' PHE . 20.2 ptt180 -153.3 153.28 32.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.553 ' HB1' ' CE2' ' A' ' 44' ' ' TYR . . . -101.71 135.54 43.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -118.26 111.93 19.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 88' ' ' SER . 61.5 p -102.35 141.97 34.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 87' ' ' THR . 1.6 t -33.87 -42.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.56 -64.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.092 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.47 179.09 27.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.432 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 53.7 t -109.02 132.12 54.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -77.45 171.6 55.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -90.05 144.91 25.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.355 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.555 ' CD1' ' HD3' ' A' ' 84' ' ' ARG . 7.3 m-85 -57.43 131.39 49.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.6 t -58.22 175.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -52.29 145.66 10.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.06 109.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.488 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 1.4 tpt -79.09 146.87 32.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 98' ' ' MET . 10.6 mt-10 -124.12 124.24 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.422 HG22 ' C ' ' A' ' 99' ' ' GLU . 96.2 t -155.44 140.48 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -109.15 148.1 31.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 46.5 p -91.67 172.77 8.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -68.48 127.82 23.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.701 . . . . 0.0 110.912 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.765 0.317 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.57 150.87 57.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.702 . . . . 0.0 111.062 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.57 65.28 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.383 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.0 p -71.39 131.05 42.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -54.72 121.52 8.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.43 120.07 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.9 m -109.89 17.98 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 16' ' ' VAL . 4.3 p -129.7 114.3 30.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.9 mt -142.89 137.36 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -135.47 139.47 44.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -94.31 104.22 16.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.427 ' C ' ' HG2' ' A' ' 21' ' ' ARG . 13.4 mt-10 -58.42 -63.46 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.427 ' HG2' ' C ' ' A' ' 20' ' ' GLU . 26.8 mmt85 -149.65 147.69 28.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.01 103.01 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.6 175.88 17.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -55.6 133.57 50.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 73' ' ' LEU . 27.2 p 39.87 32.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.8 p -154.61 146.33 23.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.0 t -156.29 131.06 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.2 t -101.21 129.91 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.588 HD11 ' CD1' ' A' ' 81' ' ' PHE . 94.8 mt -116.78 133.99 55.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.3 tp -127.58 102.02 6.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 45.9 p90 -112.99 143.71 43.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.492 ' OE1' ' N ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -91.82 148.09 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' A' ' 32' ' ' GLN . 2.7 mt-10 -51.95 150.13 8.17 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.642 0.734 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 138.33 37.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.3 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.44 -37.91 40.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -133.61 101.96 12.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.569 0.699 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -35.04 13.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 55.29 45.49 25.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.9 -163.29 25.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mp -98.5 126.41 51.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.7 mt -91.71 110.53 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.21 -62.97 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -156.06 159.52 39.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CE2' ' HB1' ' A' ' 85' ' ' ALA . 60.7 m-85 -99.59 135.78 40.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -102.29 137.55 40.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.8 mt -118.76 116.03 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . 51.3 tttt -100.29 115.38 29.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 59' ' ' SER . 33.1 p90 -128.04 126.83 42.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 4.0 p90 -144.1 165.53 27.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -54.6 111.08 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 tptp -42.07 -53.48 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 48' ' ' TYR . 4.9 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.973 0.416 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.7 m -126.85 145.42 50.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 tp -136.26 133.21 36.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -99.98 126.45 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.37 128.59 44.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.4 m -77.05 -35.86 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 t -99.14 169.6 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.6 p -80.97 15.3 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -134.62 123.33 23.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.11 145.04 21.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.7 m -114.1 103.82 11.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.15 103.03 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.4 m -110.91 135.13 51.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.26 37.14 0.76 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 25' ' ' THR . 19.9 mt -112.52 176.71 4.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.915 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -92.83 143.06 26.36 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 110.917 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.94 64.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.41 39.94 37.55 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.555 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.0 m -135.33 112.91 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 0.0 111.167 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -55.25 151.41 9.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -144.14 152.89 41.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 98' ' ' MET . 98.9 t -112.03 111.34 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.588 ' CD1' HD11 ' A' ' 29' ' ' LEU . 83.6 m-85 -95.57 150.4 20.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -153.34 108.12 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 84' ' ' ARG . 59.5 t -91.26 143.1 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.492 ' N ' HG12 ' A' ' 83' ' ' VAL . 28.8 ptt180 -146.32 158.58 43.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.567 ' HB1' ' CE2' ' A' ' 44' ' ' TYR . . . -112.99 126.66 55.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -114.0 135.96 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' SER . 60.1 p -129.35 152.92 48.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' THR . 94.1 p -38.44 -43.68 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.18 -59.02 4.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -160.82 -135.43 1.82 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 42.5 t -146.21 127.38 14.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.344 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -72.94 -174.49 26.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -95.72 157.25 15.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.352 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 47' ' ' LYS . 4.3 m-85 -71.16 132.66 45.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.1 p -52.07 177.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -58.94 144.9 43.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.63 107.27 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.413 ' O ' ' HA ' ' A' ' 80' ' ' VAL . 16.5 ttt -92.15 147.1 23.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.407 ' C ' HG21 ' A' ' 100' ' ' VAL . 45.5 mt-10 -121.75 123.58 42.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.407 HG21 ' C ' ' A' ' 99' ' ' GLU . 75.6 t -145.6 141.16 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -112.87 149.27 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 62.6 p -90.18 179.22 5.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.13 136.32 25.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.798 0.332 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.5 150.87 52.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 174.57 9.32 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -88.62 178.8 6.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.474 ' OE1' ' C ' ' A' ' 14' ' ' VAL . 0.7 OUTLIER -101.12 125.53 47.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.474 ' C ' ' OE1' ' A' ' 13' ' ' GLN . 15.1 m -74.06 112.81 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 m -100.17 17.92 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.0 t -117.49 105.3 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.447 ' CD1' ' OG ' ' A' ' 95' ' ' SER . 10.1 mt -141.72 127.47 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -134.29 145.27 48.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.465 ' NE2' HG12 ' A' ' 100' ' ' VAL . 4.5 tt0 -90.73 112.11 23.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.459 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 3.6 mm-40 -69.43 -55.94 8.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -152.73 156.25 38.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.05 122.09 16.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -129.36 -159.78 9.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -67.31 122.55 18.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 p 42.41 31.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' HG21 ' A' ' 27' ' ' VAL . 35.3 p -148.4 134.64 19.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.423 HG21 ' C ' ' A' ' 26' ' ' SER . 95.9 t -145.49 141.62 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.2 t -109.27 141.14 41.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.441 HD13 ' CD1' ' A' ' 81' ' ' PHE . 82.2 mt -121.49 151.82 39.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.459 ' HG ' ' CG ' ' A' ' 20' ' ' GLU . 3.9 mt -136.16 113.23 10.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.457 ' CG ' HG11 ' A' ' 83' ' ' VAL . 31.8 p90 -133.36 163.81 28.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -123.27 163.82 19.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -54.33 145.9 34.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.7 Cg_endo -69.77 145.92 58.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 34' ' ' PRO . 35.0 mt-10 -32.27 -63.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -122.31 102.03 40.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -25.56 28.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 53.23 38.97 28.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.91 171.22 12.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.2 mp -67.66 133.94 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.528 HG21 ' CE1' ' A' ' 44' ' ' TYR . 50.4 mt -92.33 107.72 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -51.7 -56.48 13.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -167.85 161.21 12.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.528 ' CE1' HG21 ' A' ' 41' ' ' ILE . 41.9 m-85 -100.04 152.75 19.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 84' ' ' ARG . 10.4 mt-10 -125.46 131.49 52.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.2 mp -110.11 135.6 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -111.83 115.33 28.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' A' ' 59' ' ' SER . 30.9 p90 -123.65 119.34 29.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.506 ' CE1' HG22 ' A' ' 80' ' ' VAL . 10.8 p90 -133.41 158.41 43.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -56.11 109.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -49.18 -53.34 21.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.872 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.478 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 24.7 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.96 0.41 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.4 m -119.67 138.61 53.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.6 tp -113.47 140.6 47.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -101.87 117.47 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.53 128.63 52.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.3 m -82.68 -35.11 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 66' ' ' THR . 1.5 t -98.89 175.53 5.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.446 ' N ' ' OG1' ' A' ' 65' ' ' THR . 20.6 p -82.2 15.85 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.423 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 61.6 mtt-85 -139.67 128.67 23.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.81 152.82 31.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.0 m -121.03 105.45 10.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.6 t -68.9 102.66 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 t -106.98 161.9 14.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.05 37.6 9.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.443 ' CD2' ' CD2' ' A' ' 48' ' ' TYR . 16.5 mt -104.34 178.97 4.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -87.08 133.47 38.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.519 0.676 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 145.21 56.34 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.65 42.31 51.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.6 m -143.43 116.05 8.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 111.177 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.4 mtt-85 -57.31 142.43 43.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -132.97 140.37 47.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.506 HG22 ' CE1' ' A' ' 49' ' ' TYR . 42.9 t -96.97 110.6 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.441 ' CD1' HD13 ' A' ' 29' ' ' LEU . 93.7 m-85 -91.67 153.53 19.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.467 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 45.6 mt-30 -157.63 116.56 3.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 84' ' ' ARG . 67.4 t -88.92 148.25 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.482 ' N ' HG12 ' A' ' 83' ' ' VAL . 4.0 ptp180 -151.96 160.08 43.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.61 170.33 8.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.7 ttm-85 -147.38 107.77 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.7 p -124.53 149.21 47.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 p -39.52 -50.84 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.14 -60.71 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -147.32 -177.14 21.58 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 92' ' ' GLY . 78.6 m -112.14 17.2 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 91' ' ' CYS . . . 43.96 -169.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -112.39 159.45 18.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.472 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 13.9 m-85 -59.74 171.23 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.447 ' OG ' ' CD1' ' A' ' 17' ' ' ILE . 78.5 p -79.03 -78.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 95' ' ' SER . 39.0 mt-30 -163.27 160.62 24.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.08 102.0 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.503 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 1.4 tpt -93.42 149.23 21.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.503 ' N ' ' HG3' ' A' ' 98' ' ' MET . 32.2 mt-10 -125.1 124.5 42.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.465 HG12 ' NE2' ' A' ' 19' ' ' GLN . 92.5 t -152.8 149.52 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.439 ' N ' HG11 ' A' ' 100' ' ' VAL . 5.6 tt0 -116.45 141.39 48.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 75.7 p -81.8 176.6 9.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.95 116.6 4.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.2 mttt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.524 0.678 . . . . 0.0 110.919 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 m -148.23 105.75 3.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.912 0.387 . . . . 0.0 110.853 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 m -86.07 124.92 33.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.72 136.03 13.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -165.92 169.9 14.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -149.18 145.25 27.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.38 -152.3 23.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -106.69 167.14 10.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 0.0 110.925 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.94 154.57 40.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.474 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -76.13 152.58 84.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.541 0.686 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 163.73 37.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -70.54 176.44 4.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -114.13 115.82 28.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.3 t -56.77 125.99 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 m -117.91 11.63 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.7 t -122.54 114.72 43.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 18' ' ' ARG . 71.7 mt -142.13 136.54 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.465 ' N ' HG22 ' A' ' 17' ' ' ILE . 42.0 mtt-85 -138.14 151.15 47.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 22' ' ' ALA . 7.0 tt0 -93.81 120.9 34.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -83.01 -47.54 11.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.7 mtt85 -154.12 116.55 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.428 ' HB2' ' NE2' ' A' ' 19' ' ' GLN . . . -97.16 102.41 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' SER . . . -81.94 179.04 53.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -70.04 -44.73 68.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.3 p -117.1 -12.73 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' GLY . 64.0 p -124.17 144.49 49.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.64 143.9 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.3 t -106.68 161.04 15.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CD1' HG23 ' A' ' 46' ' ' ILE . 82.3 mt -136.47 162.57 32.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.478 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 14.0 tp -154.06 110.54 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 46.2 p90 -125.37 173.31 8.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 33' ' ' GLU . 4.2 pp0? -112.33 169.92 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.497 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 4.2 mt-10 -67.66 146.25 98.45 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.608 0.718 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' GLU . 54.0 Cg_endo -69.74 135.04 29.49 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.382 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' PRO . 35.6 mt-10 -35.21 -64.31 0.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 12.8 mm-40 -121.61 102.01 42.49 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.6 0.714 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 54.0 Cg_endo -69.75 -30.55 22.14 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 10' ' ' ALA . 60.0 m-20 60.21 43.37 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.96 -162.87 24.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.99 127.61 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 111.117 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.5 mt -90.21 121.88 40.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.2 mt -68.37 -55.39 12.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -166.34 157.53 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.566 ' CE2' ' HB1' ' A' ' 85' ' ' ALA . 83.3 m-85 -95.71 131.42 42.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.58 122.74 44.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.432 HG23 ' CD1' ' A' ' 29' ' ' LEU . 5.1 mp -103.99 139.63 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.168 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -113.87 118.59 34.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.541 ' CD2' HG11 ' A' ' 70' ' ' VAL . 48.3 p90 -128.74 128.0 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 4.2 p90 -146.75 156.46 43.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -53.24 110.59 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -49.57 -53.57 23.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -70.22 -42.31 72.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -101.78 105.97 16.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -88.18 102.23 14.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 30.0 mtm -88.29 131.95 34.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -49.85 -43.94 49.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.0 p -93.62 102.0 14.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -84.69 153.96 22.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 m -96.42 130.86 43.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.8 p -105.2 154.02 20.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.0 tp -130.46 126.99 38.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' CD ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -89.92 121.51 32.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.35 130.13 51.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.8 m -88.13 -26.28 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 66' ' ' THR . 1.8 t -114.41 175.38 5.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.436 ' N ' ' OG1' ' A' ' 65' ' ' THR . 58.0 p -70.95 0.93 6.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.478 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 24.3 mtp180 -117.87 140.85 49.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.58 160.2 42.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.1 m -141.6 114.05 8.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.541 HG11 ' CD2' ' A' ' 48' ' ' TYR . 73.0 t -85.71 117.63 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.5 m -115.05 154.91 27.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.85 36.96 4.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 mt -113.64 176.29 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.934 0.397 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -102.85 143.37 26.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.701 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 160.87 48.09 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.34 42.5 18.32 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.2 m -141.98 121.2 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.759 0.314 . . . . 0.0 111.161 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.4 mtt-85 -64.47 145.35 56.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -137.43 131.61 32.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.9 t -93.56 106.16 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 95.6 m-85 -89.98 152.11 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -154.44 107.98 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.8 t -93.31 137.77 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.515 ' HG2' ' CE1' ' A' ' 94' ' ' PHE . 25.6 ptt180 -143.53 152.92 42.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.566 ' HB1' ' CE2' ' A' ' 44' ' ' TYR . . . -98.46 136.82 38.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -120.49 133.38 55.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 33.5 p -130.01 145.47 51.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.8 t -41.72 -44.92 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.43 -56.14 10.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.63 -139.72 2.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 78.7 m -143.5 144.97 32.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.366 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.8 -174.54 32.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.6 mtt85 -86.13 169.28 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.515 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 10.3 m-85 -90.06 145.23 25.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.9 p -60.24 177.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -61.73 150.81 35.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.59 102.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.424 ' CE ' HG21 ' A' ' 17' ' ' ILE . 1.7 ttt -90.22 127.71 36.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -103.59 124.2 48.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 77.0 t -140.46 138.14 36.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -115.9 129.35 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.7 p -73.47 170.5 15.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.48 124.44 10.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.527 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -61.82 149.07 86.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.616 0.722 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 106' ' ' SER . 53.6 Cg_endo -69.77 -33.1 17.24 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 105' ' ' PRO . 98.7 p -35.02 -45.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -169.97 -168.75 32.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 176.75 6.33 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.711 2.274 . . . . 0.0 112.366 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 t -74.27 -50.31 19.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.0 p -110.39 156.34 20.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.1 p -117.12 169.19 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 4' ' ' GLY . 4.1 m -123.96 168.0 13.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 37.06 -121.2 0.76 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -72.91 102.55 3.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.858 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 m -46.27 -47.09 18.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.99 -130.86 2.18 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.96 174.79 5.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.92 170.0 8.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.39 146.56 96.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 140.88 43.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.4 p -56.62 168.1 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -99.76 130.85 46.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.3 t -65.98 124.86 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.2 m -116.84 17.86 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 p -134.63 112.02 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 18' ' ' ARG . 65.7 mt -141.89 136.66 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.455 ' N ' HG22 ' A' ' 17' ' ' ILE . 32.2 mtt-85 -133.77 172.07 13.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.454 ' NE2' ' HB1' ' A' ' 22' ' ' ALA . 7.5 tt0 -118.21 116.46 26.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.14 -55.29 6.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -145.63 131.56 19.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.454 ' HB1' ' NE2' ' A' ' 19' ' ' GLN . . . -106.25 111.25 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.26 -171.15 36.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.465 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -73.62 -54.59 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.9 p -116.74 16.84 15.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 p -147.91 143.9 27.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.0 t -139.69 128.81 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.3 t -92.84 146.42 23.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.6 mt -124.59 152.56 43.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.3 tp -139.87 111.81 7.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 40.2 p90 -129.16 143.28 50.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -96.25 163.28 13.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -52.88 138.86 43.57 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.64 0.733 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 164.65 33.69 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -45.98 -68.25 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -129.02 102.0 19.32 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.648 0.737 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.4 37.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.383 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 56.09 40.48 30.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.1 179.02 15.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -77.77 125.74 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 111.151 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 42.8 mt -86.16 118.23 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.0 mt -59.26 -56.16 25.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' CD ' ' HD2' ' A' ' 62' ' ' LYS . 15.3 pt-20 -157.44 158.5 35.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -100.78 128.09 46.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HG3' ' NZ ' ' A' ' 62' ' ' LYS . 30.5 tt0 -91.77 122.23 34.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.2 mt -107.89 111.19 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -100.37 119.77 38.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.467 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 6.6 p90 -136.39 125.36 24.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.478 ' CE1' ' HG2' ' A' ' 54' ' ' GLU . 14.5 p90 -134.25 164.29 27.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' CB ' ' HB2' ' A' ' 53' ' ' LYS . 4.7 mt-10 -55.39 107.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -45.14 -51.08 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -72.94 -41.68 64.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HB2' ' CB ' ' A' ' 50' ' ' GLU . 11.4 mmpt? -99.29 102.08 13.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.478 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 5.6 tm-20 -102.77 103.45 13.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.69 169.81 9.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -61.51 -44.61 96.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.4 t -64.57 110.37 2.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -120.75 153.66 36.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.7 p -96.62 150.74 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.86 128.88 25.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 tp -115.58 129.01 56.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.958 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.425 ' NZ ' ' HG3' ' A' ' 45' ' ' GLU . 14.3 mmtm -96.25 138.62 33.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.89 130.88 17.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.4 m -81.63 -33.01 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -95.75 169.19 10.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.9 p -79.99 14.04 1.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.1 mtt85 -134.48 118.84 17.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.63 154.73 46.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.8 m -123.04 127.11 48.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.467 HG11 ' CZ ' ' A' ' 48' ' ' TYR . 93.5 t -88.44 124.29 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.1 p -124.35 158.1 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.31 41.05 6.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.0 mt -111.13 177.86 4.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -109.7 144.02 29.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.563 0.697 . . . . 0.0 110.916 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 154.95 67.3 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.64 2.227 . . . . 0.0 112.356 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.9 48.94 18.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 94.5 m -146.49 117.19 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -64.78 142.65 58.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -135.61 132.19 36.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.2 t -92.39 104.62 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -83.85 154.62 23.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -157.97 102.79 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.462 HG11 ' N ' ' A' ' 84' ' ' ARG . 41.0 t -92.92 142.02 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.567 ' HD3' ' CZ ' ' A' ' 94' ' ' PHE . 27.6 ptt85 -145.64 156.01 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.77 142.45 34.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.7 ttt85 -134.47 139.54 45.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.0 p -127.63 172.26 10.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -64.66 -35.41 80.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.39 -62.37 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -146.89 -158.62 7.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.6 p -132.04 162.07 31.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.861 0.362 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.09 -166.17 19.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -98.23 177.81 5.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.567 ' CZ ' ' HD3' ' A' ' 84' ' ' ARG . 6.5 m-85 -96.64 137.41 35.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.2 t -55.56 161.43 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -52.15 149.03 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.79 105.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.5 ttt -91.32 124.75 35.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -100.1 125.16 46.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.401 HG13 ' NE2' ' A' ' 19' ' ' GLN . 76.8 t -148.53 131.93 7.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -102.52 149.24 24.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 39.1 p -95.83 175.27 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.077 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -72.16 118.94 7.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -61.98 155.08 65.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.546 0.689 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -3.41 11.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 t -118.2 124.04 46.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 143.33 177.98 18.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 122.3 8.97 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.1 t -140.42 120.8 14.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.5 p -47.97 -28.11 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.487 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.1 p -67.58 -51.13 54.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.903 0.382 . . . . 0.0 110.819 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -153.6 143.16 21.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.86 155.78 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -106.11 124.78 50.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.863 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.4 p -111.16 176.54 4.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.77 -126.17 8.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.447 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -124.85 171.91 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.05 163.77 23.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.84 159.19 55.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.73 . . . . 0.0 111.079 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 145.58 57.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.715 2.276 . . . . 0.0 112.351 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 p -59.24 171.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -93.89 118.85 32.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.06 125.71 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -118.02 15.52 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.2 t -118.71 107.85 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 83.9 mt -142.2 136.43 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -136.38 173.5 11.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -115.27 103.57 10.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.29 -51.43 57.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.5 mtm-85 -148.19 144.13 27.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.18 114.85 18.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.86 -162.62 26.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -80.06 -53.31 6.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.7 p -117.02 17.36 14.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.7 p -143.34 157.12 44.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.1 t -154.97 143.11 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.176 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.7 t -113.07 150.78 31.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -129.31 155.08 46.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 10.3 tp -138.71 114.71 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.439 ' CH2' HD12 ' A' ' 46' ' ' ILE . 37.3 p90 -133.18 143.01 48.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -91.46 159.12 16.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -55.54 149.73 28.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.7 Cg_endo -69.8 140.71 43.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 34' ' ' PRO . 37.2 mt-10 -37.42 -54.49 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 77.7 mt-30 -128.3 102.01 21.39 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.8 Cg_endo -69.73 -26.7 27.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.747 2.298 . . . . 0.0 112.361 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 55.16 42.75 30.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.12 -171.15 22.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mp -86.67 128.46 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.341 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.405 HG23 ' CE1' ' A' ' 44' ' ' TYR . 47.7 mt -87.83 118.05 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.9 -59.34 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -154.02 172.35 17.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.405 ' CE1' HG23 ' A' ' 41' ' ' ILE . 47.3 m-85 -120.04 114.99 22.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.485 ' CB ' ' HD3' ' A' ' 84' ' ' ARG . 0.4 OUTLIER -82.82 127.51 33.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.439 HD12 ' CH2' ' A' ' 31' ' ' TRP . 11.8 mt -115.12 126.71 72.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.429 ' CB ' ' CZ ' ' A' ' 94' ' ' PHE . 35.5 tttt -105.57 125.05 50.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.433 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 4.7 p90 -132.19 129.39 39.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' ' HG2' ' A' ' 54' ' ' GLU . 27.8 p90 -144.16 164.0 31.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.1 108.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -47.39 -54.71 10.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -68.65 -42.0 78.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -102.2 102.76 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.565 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 10.2 tm-20 -102.91 111.18 23.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.41 ' CE ' ' O ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -117.89 166.48 12.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -63.96 -40.85 97.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.41 ' O ' ' CE ' ' A' ' 55' ' ' MET . 66.0 p -76.97 109.71 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -118.19 153.89 33.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.36 151.72 19.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 61' ' ' LEU . 11.8 m -131.2 148.89 52.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.46 ' N ' HG23 ' A' ' 60' ' ' THR . 20.3 tp -130.75 127.42 38.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -92.0 135.94 33.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -136.78 129.71 30.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.164 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.69 -26.26 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -107.22 171.58 7.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.43 ' N ' ' OG1' ' A' ' 65' ' ' THR . 33.7 p -74.28 5.2 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.462 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 43.3 mtt180 -128.04 136.17 50.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.78 163.24 39.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.2 m -136.83 118.24 14.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.3 t -86.12 107.35 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.6 m -107.69 157.44 18.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.68 42.2 5.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.2 mt -113.53 172.57 6.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -96.79 141.16 22.67 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.714 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.88 48.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.7 50.58 8.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.6 m -151.12 118.42 5.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 0.0 111.164 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -65.62 139.8 58.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -130.24 140.39 50.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.2 t -99.48 111.09 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 90.3 m-85 -96.28 150.51 20.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.509 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 61.6 mt-30 -151.09 112.93 4.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 84' ' ' ARG . 44.3 t -91.65 140.1 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.581 ' HD2' ' CE1' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -140.99 153.52 45.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.16 143.42 36.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -133.73 130.46 38.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.9 p -121.49 170.78 9.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 t -60.11 -45.28 93.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.28 -59.3 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.5 -143.6 3.76 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.8 t -155.97 142.73 18.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -80.28 -134.97 1.39 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.467 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 73.1 mtt85 -141.86 165.53 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.581 ' CE1' ' HD2' ' A' ' 84' ' ' ARG . 4.8 m-85 -64.12 150.2 46.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.9 m -75.75 176.88 7.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -52.03 143.75 13.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.62 102.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.437 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 2.7 tpt -85.71 145.07 27.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 98' ' ' MET . 23.9 mt-10 -123.44 124.92 43.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.5 t -142.45 136.25 27.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -112.16 138.72 48.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.5 p -90.87 167.83 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -72.53 122.87 8.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.475 ' N ' ' HD3' ' A' ' 104' ' ' LYS . 1.4 mppt? -57.75 156.23 18.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.647 0.737 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 96.1 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.665 2.243 . . . . 0.0 112.329 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -75.62 120.46 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -138.75 -179.28 17.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 89.88 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.0 m -90.03 177.61 6.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 78.6 p -103.88 159.63 15.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -71.98 169.74 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.849 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.5 p -98.88 152.98 19.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.61 108.96 2.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -79.43 121.8 25.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.383 . . . . 0.0 110.851 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.4 p -37.65 -46.24 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.94 -103.14 0.56 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -118.34 171.04 8.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.05 125.88 30.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.43 157.95 69.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.546 0.688 . . . . 0.0 111.097 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 154.06 68.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.318 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 p -71.92 147.65 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.456 ' OE1' ' C ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -72.98 125.46 27.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.456 ' C ' ' OE1' ' A' ' 13' ' ' GLN . 57.5 t -62.64 103.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -96.18 5.97 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 p -118.01 108.18 23.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.2 mt -142.38 143.66 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -141.55 173.1 11.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -122.98 110.74 15.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.468 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 2.4 mm-40 -69.34 -56.42 7.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.0 mtm105 -148.03 143.29 27.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.98 141.32 52.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -134.86 -164.87 10.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -67.15 -61.22 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -117.39 17.86 14.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.6 p -137.05 144.63 43.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.4 t -154.49 137.01 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.1 t -107.68 147.47 30.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.7 mt -133.07 136.2 45.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.468 ' CD2' ' HG2' ' A' ' 67' ' ' ARG . 5.9 mt -116.36 126.38 53.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 26.4 p90 -145.56 130.35 18.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -91.37 170.3 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -52.06 135.49 38.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.712 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 165.7 30.11 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.61 2.207 . . . . 0.0 112.372 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -41.77 -67.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -133.55 102.0 12.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.712 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -16.83 37.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 56.73 47.32 18.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.77 -166.96 13.86 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mp -87.5 124.53 40.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.0 mt -85.74 109.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.3 mt -46.42 -55.91 6.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.502 ' CD ' ' C ' ' A' ' 43' ' ' GLU . 0.5 OUTLIER -159.5 165.32 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -103.84 110.04 22.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -78.42 128.33 33.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.5 mt -115.41 115.5 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -107.83 115.28 29.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.552 ' CE2' ' HB2' ' A' ' 59' ' ' SER . 2.0 p90 -121.55 125.15 46.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.564 ' CE1' ' HG2' ' A' ' 54' ' ' GLU . 4.2 p90 -130.7 165.43 22.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.04 116.35 4.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -42.82 -49.48 5.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -74.07 -41.28 61.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -104.54 107.34 18.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.564 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 9.7 mt-10 -103.05 -36.16 8.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.402 ' HE3' ' N ' ' A' ' 55' ' ' MET . 25.1 mmt -66.41 -38.44 87.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -55.45 166.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.9 t -53.91 141.1 28.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -118.21 153.83 33.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.962 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.552 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 49.6 m -99.65 134.38 42.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.0 m -113.99 137.04 52.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.8 tp -122.57 149.31 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -116.81 126.63 53.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.92 135.0 51.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.052 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.4 m -91.06 -29.84 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.9 OUTLIER -104.05 174.74 5.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.453 ' N ' ' OG1' ' A' ' 65' ' ' THR . 16.2 p -80.29 14.51 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.468 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 53.2 mtt85 -139.96 119.8 13.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.98 157.89 44.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.0 m -129.42 115.78 18.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.4 t -80.04 111.52 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.6 m -112.37 160.33 17.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.5 39.86 9.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.5 mt -106.72 178.37 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -101.17 132.27 22.15 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.729 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 164.38 34.72 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 42.82 43.13 5.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.4 m -145.64 115.43 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 111.154 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -61.05 137.18 58.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -128.56 156.94 42.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.406 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 89.9 t -118.08 106.91 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 97.8 m-85 -90.06 147.31 23.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -149.13 109.04 4.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 84' ' ' ARG . 60.1 t -92.48 139.6 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -144.14 142.22 30.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.17 121.85 41.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -108.93 121.71 45.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 88' ' ' SER . 39.2 p -107.18 145.21 32.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 87' ' ' THR . 8.1 t -34.82 -43.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.13 -64.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -152.14 -143.97 3.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.6 p -135.33 160.75 37.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.817 0.341 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.88 162.08 13.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -61.67 147.57 45.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.814 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CZ ' ' HG2' ' A' ' 84' ' ' ARG . 9.0 m-85 -70.33 154.13 42.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.422 ' HA ' ' CD ' ' A' ' 13' ' ' GLN . 87.7 p -64.55 168.13 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -56.58 144.3 32.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.39 102.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.4 ' HE3' ' CG2' ' A' ' 100' ' ' VAL . 9.3 ttt -94.77 128.13 41.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -99.38 127.08 45.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.4 ' CG2' ' HE3' ' A' ' 98' ' ' MET . 87.2 t -140.48 132.17 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -105.25 134.07 48.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 58.0 p -83.86 165.75 18.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -63.76 136.47 41.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -71.2 148.56 93.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.8 3.21 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.8 m -114.84 153.12 31.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 158.75 151.11 5.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.442 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 118.17 5.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.2 t -42.09 -51.14 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.4 t -59.38 -61.19 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -79.34 -56.18 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -160.3 158.53 29.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.37 48.62 0.1 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -108.46 160.25 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 t -74.16 160.66 30.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.07 -87.31 0.85 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -125.5 177.75 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.73 145.58 46.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.3 149.14 49.73 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.63 0.728 . . . . 0.0 111.063 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 170.07 17.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.266 . . . . 0.0 112.341 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -84.67 121.16 27.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -54.19 123.58 13.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.1 t -56.54 122.79 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.6 m -117.72 13.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.0 p -126.27 110.33 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.5 mt -142.02 144.25 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.062 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtp-105 -140.72 169.68 17.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.41 ' OE1' ' CG1' ' A' ' 100' ' ' VAL . 19.1 tt0 -117.85 105.02 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.455 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 4.5 mm-40 -64.59 -68.09 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 9.6 mtp-105 -132.89 135.69 45.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.3 103.01 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.64 -152.88 24.27 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -88.26 -51.95 5.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.6 p -117.9 17.72 14.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.3 p -147.83 141.65 25.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.6 t -143.78 135.51 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.408 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 38.5 t -99.38 155.54 17.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.408 ' N ' ' HG ' ' A' ' 28' ' ' SER . 51.7 mt -136.91 140.18 42.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD2' ' HG2' ' A' ' 67' ' ' ARG . 5.6 mt -120.47 126.04 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.553 ' CH2' HD12 ' A' ' 46' ' ' ILE . 33.2 p90 -145.35 131.39 19.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -94.04 164.19 13.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -54.82 146.31 37.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 157.58 59.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.367 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -47.93 -54.8 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -129.74 103.58 17.45 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.584 0.707 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.05 25.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 52.6 44.28 30.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.34 -173.61 21.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mp -87.93 124.09 40.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.77 0.319 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.4 mt -84.23 106.17 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.8 -60.79 2.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -158.72 159.18 34.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -96.47 114.43 26.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.79 117.42 23.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.553 HD12 ' CH2' ' A' ' 31' ' ' TRP . 18.0 mt -102.92 120.36 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -101.32 115.2 29.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 59' ' ' SER . 42.9 p90 -125.57 125.26 42.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.689 ' CE1' ' CG ' ' A' ' 54' ' ' GLU . 3.8 p90 -143.21 159.2 42.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.6 mt-10 -69.84 119.86 14.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -45.58 -48.84 14.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.76 -45.75 74.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -88.95 18.04 5.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.689 ' CG ' ' CE1' ' A' ' 49' ' ' TYR . 7.1 tm-20 -44.28 -35.71 2.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.481 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 20.2 mmt -79.79 -54.87 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' MET . 9.3 tp60 -33.18 -68.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -164.35 160.58 21.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -125.3 147.42 49.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.439 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 1.4 t -100.56 156.53 17.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 61' ' ' LEU . 8.9 m -131.38 146.97 52.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.144 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.427 ' N ' HG22 ' A' ' 60' ' ' THR . 15.5 tp -138.13 151.98 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.17 134.99 54.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.51 132.05 38.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.6 m -89.09 -28.55 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.108 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.6 OUTLIER -103.37 172.71 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.434 ' N ' ' OG1' ' A' ' 65' ' ' THR . 42.7 p -80.53 11.31 3.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.46 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 35.8 mtm180 -135.62 127.47 29.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -143.91 165.58 27.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.2 m -140.27 110.78 6.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.438 HG21 ' CE1' ' A' ' 81' ' ' PHE . 81.4 t -74.07 115.0 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.154 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 t -116.47 157.74 24.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.36 40.47 6.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 12.2 mt -110.48 173.97 6.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.889 0.376 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mtmm -102.4 139.88 20.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 162.7 41.03 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.362 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 42.93 44.68 5.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.6 m -143.59 119.86 10.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 111.142 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -59.05 139.67 56.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 73' ' ' LEU . 11.3 m-85 -129.09 158.88 37.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.477 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 27.6 t -128.91 113.98 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.438 ' CE1' HG21 ' A' ' 70' ' ' VAL . 95.5 m-85 -101.8 149.13 24.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -152.61 105.71 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 84' ' ' ARG . 24.7 t -92.26 142.52 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.56 ' HD3' ' CZ ' ' A' ' 94' ' ' PHE . 22.9 ptt180 -145.84 147.05 31.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.48 131.48 46.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -123.2 123.61 41.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 88' ' ' SER . 72.8 p -109.98 152.03 26.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 87' ' ' THR . 94.3 p -34.82 -42.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.72 -60.64 3.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.061 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -164.87 -173.46 33.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 28.5 p -106.97 142.17 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.87 163.56 21.45 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.48 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -55.68 176.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.56 ' CZ ' ' HD3' ' A' ' 84' ' ' ARG . 6.5 m-85 -96.94 147.16 24.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.0 p -59.34 178.06 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -63.46 137.89 58.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.49 104.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.2 ttt -102.15 121.26 41.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -102.86 129.16 49.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.41 ' CG1' ' OE1' ' A' ' 19' ' ' GLN . 88.3 t -138.02 131.85 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -101.14 135.76 42.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 57.3 p -83.76 169.01 15.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -69.38 131.43 24.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 104' ' ' LYS . 0.2 OUTLIER -61.15 154.16 63.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.554 0.692 . . . . 0.0 110.878 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -11.18 30.3 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.724 2.283 . . . . 0.0 112.316 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.7 p -65.73 -41.1 92.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 152.29 172.29 20.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 85.9 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.379 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 82.9 p -132.8 120.69 21.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.4 p -72.79 -53.84 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.501 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -130.96 137.17 49.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.8 m -83.07 -60.91 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 167.91 62.49 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 63.9 p -37.06 -55.96 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t -69.85 108.18 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.84 -137.87 13.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -141.79 152.54 43.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.27 150.58 6.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.02 151.48 81.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.534 0.683 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 143.31 50.47 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -57.14 164.45 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' A' ' 94' ' ' PHE . 25.7 tt0 -93.3 129.76 39.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.451 ' O ' ' CB ' ' A' ' 95' ' ' SER . 90.9 t -68.8 115.8 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.8 m -116.89 15.95 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.451 HG12 ' CG ' ' A' ' 32' ' ' GLN . 2.9 p -126.14 109.12 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.6 mt -142.07 147.22 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -143.08 173.62 11.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -119.19 111.03 17.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.468 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 2.5 mm-40 -72.8 -60.17 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -139.26 135.65 34.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.07 111.43 21.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.43 -169.45 30.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.504 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -73.74 -55.52 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.1 p -114.92 17.24 17.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.0 p -143.87 150.78 38.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 28' ' ' SER . 69.6 t -151.47 137.6 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.433 ' N ' HG12 ' A' ' 27' ' ' VAL . 23.1 t -105.66 152.71 22.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.509 HD13 ' CD2' ' A' ' 81' ' ' PHE . 16.6 mt -137.49 138.46 39.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.468 ' HG ' ' CG ' ' A' ' 20' ' ' GLU . 5.8 mt -117.37 126.63 53.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 30.5 p90 -145.52 131.71 19.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' CG ' HG12 ' A' ' 16' ' ' VAL . 1.6 pt20 -91.06 160.51 15.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -52.36 148.37 12.16 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.667 0.746 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.55 63.11 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.238 . . . . 0.0 112.34 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.54 -48.7 14.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.407 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 16.5 mt-30 -136.74 102.39 9.43 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.4 Cg_endo -69.79 -24.34 29.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 53.19 41.67 32.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.89 160.54 10.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -62.2 128.77 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.509 HG23 ' CE1' ' A' ' 44' ' ' TYR . 37.0 mt -91.89 106.98 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 mt -51.55 -57.9 7.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -156.88 171.94 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.509 ' CE1' HG23 ' A' ' 41' ' ' ILE . 32.1 m-85 -112.05 124.93 53.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -90.7 126.95 36.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.0 mt -110.52 135.26 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -124.37 116.03 21.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.514 ' CZ ' HG13 ' A' ' 70' ' ' VAL . 7.0 p90 -125.49 139.52 53.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 10.4 p90 -153.37 173.04 16.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 54' ' ' GLU . 7.1 mt-10 -77.91 114.08 16.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.453 ' CB ' HG21 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -70.39 -26.87 63.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.31 -41.63 39.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -92.48 -50.96 5.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 50' ' ' GLU . 3.9 tt0 68.04 43.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.579 ' N ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -52.62 -179.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -88.67 -68.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 t -62.28 102.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -98.01 154.44 17.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 m -96.14 133.54 40.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.802 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.407 HG23 ' N ' ' A' ' 61' ' ' LEU . 7.5 m -113.8 146.78 39.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.407 ' N ' HG23 ' A' ' 60' ' ' THR . 47.5 tp -126.99 133.2 50.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.71 127.42 45.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.6 128.27 45.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.08 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 m -80.9 -34.35 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 t -98.94 173.56 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.4 p -78.61 8.65 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.44 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 73.3 mtt180 -129.88 119.53 23.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.29 154.52 47.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.1 m -130.6 108.58 10.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.514 HG13 ' CZ ' ' A' ' 48' ' ' TYR . 89.1 t -71.88 115.34 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.168 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 t -112.16 158.58 19.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.42 39.19 6.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.469 HD23 ' CD2' ' A' ' 48' ' ' TYR . 46.3 mt -107.05 174.32 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -101.49 139.05 20.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.563 0.697 . . . . 0.0 110.893 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 151.45 69.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.396 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.54 39.87 67.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.442 ' CG2' ' HG2' ' A' ' 50' ' ' GLU . 97.6 m -144.05 110.77 5.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.766 0.317 . . . . 0.0 111.111 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.2 mtt85 -57.06 148.58 21.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -137.57 132.23 32.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.453 HG21 ' CB ' ' A' ' 51' ' ' LYS . 46.8 t -94.31 102.19 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.509 ' CD2' HD13 ' A' ' 29' ' ' LEU . 88.7 m-85 -85.83 156.64 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -155.22 108.48 2.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.46 HG11 ' N ' ' A' ' 84' ' ' ARG . 61.9 t -92.59 139.48 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.552 ' HD2' ' CE1' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -143.54 154.52 43.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.31 139.63 34.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -122.77 125.11 44.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.0 p -122.21 158.65 28.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 t -56.24 -44.81 79.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.807 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.82 -49.41 65.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.32 -129.49 1.12 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.0 p -149.81 168.93 22.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -114.75 -137.46 6.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -123.91 164.95 18.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.552 ' CE1' ' HD2' ' A' ' 84' ' ' ARG . 8.8 m-85 -82.32 140.31 33.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 39.7 p -57.61 178.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -65.11 138.58 58.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.67 102.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 6.8 ttt -94.46 130.13 40.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.41 ' C ' HG22 ' A' ' 100' ' ' VAL . 28.1 mt-10 -103.28 123.88 47.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.41 HG22 ' C ' ' A' ' 99' ' ' GLU . 95.1 t -141.61 138.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -110.56 150.93 28.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 73.6 p -97.64 170.13 9.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.11 117.16 10.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.468 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -53.7 149.41 16.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -41.11 4.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.646 2.231 . . . . 0.0 112.329 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.7 m -40.41 -50.36 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.779 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -128.35 -174.29 13.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.52 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 m -126.53 155.08 42.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.1 p -133.29 119.48 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.512 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.8 p -52.09 -48.43 64.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 m -93.65 149.06 21.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.77 -99.1 0.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -56.22 115.5 2.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.919 0.39 . . . . 0.0 110.839 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t -77.86 -44.26 27.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.804 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.64 -134.52 3.31 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.464 ' CB ' ' HB2' ' A' ' 89' ' ' ALA . 26.9 mp0 -137.1 126.12 24.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 0.0 110.889 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.18 127.38 28.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.36 140.89 97.79 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.545 0.688 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.01 36.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.313 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -70.54 141.63 51.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -75.89 119.03 19.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.8 t -56.68 119.29 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 m -114.06 16.16 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.452 HG12 ' CG ' ' A' ' 32' ' ' GLN . 2.7 p -126.44 108.2 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.2 mt -140.31 123.82 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.53 170.77 15.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.427 ' OE1' ' CG1' ' A' ' 100' ' ' VAL . 12.9 tt0 -109.85 130.16 55.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -90.22 -41.9 11.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -157.74 129.4 6.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.87 128.81 49.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.48 178.1 19.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -71.36 -49.66 40.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.3 p -115.47 8.91 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.5 p -141.58 166.16 25.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.8 t -153.64 131.34 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.3 t -96.08 141.6 29.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.3 mt -115.52 166.33 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.454 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 14.0 tp -152.09 116.73 5.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.494 ' CE2' HG13 ' A' ' 83' ' ' VAL . 23.6 p90 -144.5 128.69 17.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' CG ' HG12 ' A' ' 16' ' ' VAL . 3.6 pt20 -91.12 165.11 13.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -52.08 147.61 12.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 174.83 8.93 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.743 2.295 . . . . 0.0 112.328 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -60.73 -45.35 94.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -147.73 101.97 3.69 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -19.69 36.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.267 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 56.1 42.89 27.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.58 -172.55 18.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mp -81.94 129.35 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 111.165 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.5 mt -92.67 121.71 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.51 -61.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -159.87 164.83 33.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -105.14 117.57 34.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.435 ' CD ' HG22 ' A' ' 60' ' ' THR . 4.2 mm-40 -86.35 156.54 20.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.3 mt -135.43 126.31 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -103.19 117.37 34.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -130.23 129.68 43.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -153.07 157.77 40.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 53' ' ' LYS . 3.5 mt-10 -57.38 118.76 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -62.57 -38.6 90.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' C ' ' HG2' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -86.82 10.89 14.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.462 ' HB2' ' CB ' ' A' ' 50' ' ' GLU . 55.7 mmtt -147.56 177.89 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' N ' ' HE1' ' A' ' 55' ' ' MET . 13.2 mt-10 -157.96 109.5 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.461 ' HE1' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -92.83 135.15 34.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -42.07 -38.04 1.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 t -119.04 102.26 8.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -65.8 154.92 37.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.5 m -95.08 127.24 40.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.435 HG22 ' CD ' ' A' ' 45' ' ' GLU . 4.8 m -114.9 148.98 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.4 tp -127.64 130.78 49.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.413 ' HG3' ' CD ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -90.15 128.6 36.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.821 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.03 131.69 52.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.094 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.9 m -88.48 -32.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 t -97.59 168.75 10.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.2 p -79.85 12.96 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.454 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 54.1 mtt180 -146.81 118.06 7.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.58 165.88 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.8 m -133.77 108.44 8.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.8 t -72.4 106.63 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.7 t -102.54 160.53 14.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.73 42.31 5.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.445 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.405 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 12.9 mt -113.9 173.98 6.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -104.42 143.39 26.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.71 . . . . 0.0 110.896 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 160.61 49.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.63 52.68 9.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 m -154.95 112.74 3.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.746 0.308 . . . . 0.0 111.17 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -56.91 139.37 51.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.405 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 21.2 m-85 -129.89 128.81 42.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.6 t -91.24 115.35 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.164 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.53 151.01 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -156.97 113.07 2.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.494 HG13 ' CE2' ' A' ' 31' ' ' TRP . 88.0 t -98.34 154.25 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -157.26 157.47 34.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.77 152.04 22.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -136.05 137.28 40.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.2 p -124.48 166.82 15.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.7 p -63.33 -35.99 82.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.464 ' HB2' ' CB ' ' A' ' 8' ' ' GLN . . . -65.03 -55.72 17.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.98 -155.11 7.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.437 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 45.8 t -131.16 151.86 51.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.32 -128.41 4.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -142.8 169.78 16.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -84.6 134.39 34.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.4 t -61.75 172.16 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -52.18 140.5 20.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.73 116.18 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.457 ' HE2' ' CG2' ' A' ' 100' ' ' VAL . 2.9 ttt -102.07 145.11 29.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.41 ' C ' HG22 ' A' ' 100' ' ' VAL . 50.4 mt-10 -113.69 125.48 54.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.457 ' CG2' ' HE2' ' A' ' 98' ' ' MET . 86.1 t -140.21 131.69 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -104.0 147.17 27.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.2 p -97.75 167.13 11.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.173 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -66.73 127.48 28.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -59.35 155.32 37.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.581 0.705 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 2.76 3.28 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -114.76 145.46 42.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -113.22 -173.83 18.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.453 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 100.7 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.689 2.259 . . . . 0.0 112.365 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 78.8 p -45.37 -46.08 12.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.7 m 58.59 42.08 21.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m -91.72 155.2 18.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.351 . . . . 0.0 110.872 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 t -75.24 -61.04 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.9 76.29 0.31 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 m -40.05 -61.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.845 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 p -57.65 155.73 9.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.68 -106.16 0.41 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -131.5 157.55 43.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.1 147.88 40.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.45 152.58 32.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.702 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.32 2.82 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.643 2.228 . . . . 0.0 112.366 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -94.36 177.02 6.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.438 ' CD ' ' O ' ' A' ' 94' ' ' PHE . 9.1 tt0 -108.01 130.13 55.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.406 ' CG2' ' HB3' ' A' ' 95' ' ' SER . 36.0 m -68.47 121.59 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.6 m -104.92 16.43 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.483 ' CG1' ' NE2' ' A' ' 32' ' ' GLN . 58.1 t -128.2 111.6 24.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.452 ' CD1' ' OG ' ' A' ' 95' ' ' SER . 13.1 mt -141.36 139.62 32.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.412 ' N ' HG23 ' A' ' 17' ' ' ILE . 3.7 mtp-105 -137.46 174.94 10.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.401 ' NE2' HG11 ' A' ' 100' ' ' VAL . 10.1 tt0 -119.65 106.54 12.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.468 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 8.0 mm-40 -70.07 -47.08 63.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.417 ' CG ' ' HB3' ' A' ' 28' ' ' SER . 11.2 ptt180 -154.76 162.35 41.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -153.5 103.5 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.82 -137.97 3.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.457 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -95.35 -51.51 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.9 p -116.91 15.94 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.4 p -144.98 150.84 37.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.8 t -150.7 132.92 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.417 ' HB3' ' CG ' ' A' ' 21' ' ' ARG . 13.4 t -91.83 150.61 20.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.555 HD13 ' CD1' ' A' ' 81' ' ' PHE . 84.4 mt -130.91 154.5 48.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.468 ' HG ' ' CG ' ' A' ' 20' ' ' GLU . 3.0 mt -139.11 114.86 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.509 ' CE2' ' HA ' ' A' ' 66' ' ' THR . 42.8 p90 -127.21 164.99 20.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.483 ' NE2' ' CG1' ' A' ' 16' ' ' VAL . 71.0 mt-30 -110.19 174.7 5.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.34 148.0 88.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.653 0.739 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' GLU . 54.2 Cg_endo -69.71 137.66 36.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' PRO . 23.4 mt-10 -34.31 -60.22 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 15.4 mt-30 -131.18 102.0 16.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.729 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.9 Cg_endo -69.7 -25.35 28.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.359 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 56.55 42.5 27.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.06 -172.01 23.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.83 134.42 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.9 mt -94.25 126.63 46.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.79 -50.56 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -167.32 161.84 14.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -99.78 132.78 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -101.34 120.05 39.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.5 mt -101.8 119.63 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -101.38 119.85 39.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.567 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 22.4 p90 -133.09 127.2 33.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.528 ' CE1' ' HG3' ' A' ' 54' ' ' GLU . 20.4 p90 -141.03 165.16 28.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.18 108.8 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -47.57 -54.59 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.77 -41.54 78.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -103.58 102.7 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.528 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 38.5 tt0 -105.22 102.28 11.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.455 ' HE2' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -107.58 162.23 14.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -52.76 -59.71 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.8 m -63.36 120.84 12.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -124.06 151.46 43.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -96.62 130.04 43.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.0 m -118.2 146.55 44.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.1 tp -114.81 158.61 21.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -117.73 128.05 54.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.98 131.33 37.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.046 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.7 m -82.05 -24.08 9.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 t -116.16 166.81 11.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.509 ' HA ' ' CE2' ' A' ' 31' ' ' TRP . 76.4 p -66.92 -2.9 5.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.8 mtt85 -115.39 127.75 55.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.52 157.46 43.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.2 m -127.43 106.97 9.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.52 HG11 ' CE2' ' A' ' 48' ' ' TYR . 87.6 t -73.06 120.47 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.0 t -122.04 159.2 27.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.52 37.91 7.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.3 mt -107.11 175.57 5.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.876 0.369 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -102.57 140.19 20.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.549 0.69 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 158.72 55.9 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.323 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.37 42.24 13.02 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.536 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 93.4 m -144.41 121.72 11.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 111.184 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 -66.96 142.76 57.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -134.87 130.86 36.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.1 t -89.7 107.01 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.555 ' CD1' HD13 ' A' ' 29' ' ' LEU . 93.9 m-85 -88.3 147.49 24.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 95' ' ' SER . 15.0 mm100 -150.66 113.81 4.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.479 HG11 ' N ' ' A' ' 84' ' ' ARG . 63.7 t -93.42 139.6 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.479 ' N ' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -139.42 154.93 47.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.16 117.86 35.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -101.99 123.61 46.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 88' ' ' SER . 25.4 p -120.67 144.2 48.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 87' ' ' THR . 30.0 t -34.21 -49.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.55 -61.38 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.89 -156.07 8.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.546 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 72.9 m -117.08 157.24 26.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.833 0.349 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -111.26 177.48 19.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -73.23 162.59 29.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.438 ' O ' ' CD ' ' A' ' 13' ' ' GLN . 5.8 m-85 -84.67 144.18 28.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.472 ' O ' ' NE2' ' A' ' 82' ' ' GLN . 96.6 p -58.08 174.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -55.73 135.2 51.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.03 102.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 0.9 OUTLIER -85.03 145.11 27.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 98' ' ' MET . 43.5 mt-10 -124.85 124.06 41.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.401 HG11 ' NE2' ' A' ' 19' ' ' GLN . 86.5 t -147.36 148.81 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -117.34 134.75 54.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.5 p -78.08 170.36 16.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.14 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.04 118.05 4.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -54.98 155.99 7.58 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.559 0.695 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -39.08 6.9 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.313 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 99.7 p -115.54 147.29 40.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 106.4 -174.03 20.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -176.51 1.53 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.4 t -109.88 127.06 54.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.5 t -74.19 -44.23 54.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.503 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.436 -0.265 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -96.15 142.87 27.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.7 m -49.33 -50.16 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.15 45.32 82.69 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.52 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 p 52.03 39.75 26.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 110.884 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -50.37 -61.2 2.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.38 -151.15 5.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -56.88 108.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -143.27 141.97 31.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 143.06 97.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 157.27 60.97 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.319 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 t -67.63 131.15 45.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.441 ' CD ' ' O ' ' A' ' 94' ' ' PHE . 8.2 tt0 -64.06 126.25 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 95' ' ' SER . 89.8 t -60.75 112.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.36 17.92 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 p -129.74 105.19 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 18' ' ' ARG . 92.1 mt -142.31 135.7 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.466 ' N ' HG21 ' A' ' 17' ' ' ILE . 76.3 mtt180 -132.57 174.81 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -119.3 109.57 15.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 5.5 mm-40 -70.37 -55.54 8.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 21' ' ' ARG . 40.1 mtm105 -148.88 144.83 27.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.05 120.81 31.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.55 -165.15 16.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.4 -62.49 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 p -117.97 17.88 14.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.409 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 46.6 p -129.6 152.55 49.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' A' ' 26' ' ' SER . 97.7 t -157.53 143.6 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -118.17 139.78 50.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.5 HD13 ' CD1' ' A' ' 81' ' ' PHE . 44.2 mt -125.5 133.47 52.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.473 ' CD2' ' HG2' ' A' ' 67' ' ' ARG . 6.1 mt -113.38 126.93 55.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 24.5 p90 -145.64 131.42 19.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -91.37 160.42 15.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.08 139.42 34.24 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.671 0.748 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.1 Cg_endo -69.82 149.81 67.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 34' ' ' PRO . 24.2 mt-10 -37.19 -64.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -125.09 102.28 31.15 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.739 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -12.54 33.06 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.738 2.292 . . . . 0.0 112.335 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 55.1 43.81 28.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.71 -178.68 16.43 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.4 mp -74.74 126.24 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 111.152 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.4 mt -86.92 120.29 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.11 -63.35 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -154.14 159.92 41.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -99.58 128.59 45.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 84' ' ' ARG . 0.7 OUTLIER -94.72 134.26 37.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.5 mt -122.94 107.98 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -99.99 123.33 44.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.558 ' CE2' HG12 ' A' ' 70' ' ' VAL . 18.8 p90 -131.61 141.56 49.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.531 ' CE1' ' HG3' ' A' ' 54' ' ' GLU . 11.9 p90 -153.39 156.64 38.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -53.29 109.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -49.61 -52.14 32.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -71.86 -41.93 67.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -101.7 106.95 18.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.531 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 5.1 mp0 -99.66 105.22 17.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 55' ' ' MET . 3.6 mpp? -102.88 143.67 32.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -48.29 -41.25 27.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.0 p -86.08 123.53 31.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -114.66 154.1 29.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.501 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 44.0 m -96.18 124.73 40.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.455 ' CG2' ' HG3' ' A' ' 45' ' ' GLU . 22.3 m -106.87 153.22 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 tp -139.46 129.28 24.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.94 132.87 40.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.39 129.6 37.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.7 m -84.72 -36.05 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 t -93.07 170.04 9.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.5 p -80.92 16.23 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.473 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 54.8 mtt180 -138.74 119.24 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.18 155.08 47.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.2 m -131.88 102.91 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.558 HG12 ' CE2' ' A' ' 48' ' ' TYR . 58.3 t -71.23 118.02 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.6 m -121.24 151.51 39.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.9 39.11 4.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.1 mt -106.66 177.9 4.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -98.02 134.74 21.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.884 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 153.95 68.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.748 2.299 . . . . 0.0 112.338 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.29 46.23 51.98 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.455 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.3 m -150.58 114.46 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.708 0.289 . . . . 0.0 111.184 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.441 ' NH1' ' OE1' ' A' ' 99' ' ' GLU . 31.7 mtt180 -58.01 145.99 34.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -134.46 147.07 50.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.4 t -107.49 107.99 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.541 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 84.5 m-85 -92.76 153.07 19.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -154.43 112.72 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 84' ' ' ARG . 51.1 t -100.52 146.61 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.595 ' HG2' ' CE1' ' A' ' 94' ' ' PHE . 6.0 ppt_? -153.83 154.67 34.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -105.96 139.22 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.409 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 6.1 ttt85 -117.95 115.81 25.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 88' ' ' SER . 37.8 p -109.07 136.93 47.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 87' ' ' THR . 48.6 p -34.6 -42.88 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.74 -60.81 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -156.51 -154.65 7.1 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.498 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 13.9 m -131.11 142.64 50.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.368 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -104.68 153.45 17.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -54.53 176.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.595 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 9.7 m-85 -92.67 139.97 30.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 55.6 p -51.95 168.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -52.08 145.12 10.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.44 105.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.465 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 1.9 tpt -86.39 145.17 26.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 98' ' ' MET . 31.1 mt-10 -122.55 125.49 45.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.6 t -141.44 132.95 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -106.89 133.87 50.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.9 p -82.2 174.32 11.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -86.82 129.97 9.74 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -62.34 153.83 74.21 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.565 0.697 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 106' ' ' SER . 53.7 Cg_endo -69.72 0.9 4.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 105' ' ' PRO . 61.4 m -34.66 -50.95 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.96 151.42 7.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 153.1 69.31 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.373 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.1 p 52.26 38.36 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 98.5 p -83.35 -44.27 15.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.2 m -132.65 139.61 47.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.843 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 m -118.08 163.27 16.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.82 71.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 p -42.42 -55.51 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 t -63.31 145.18 56.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.17 -154.69 8.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -136.88 138.96 41.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.96 162.29 24.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.04 148.42 67.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.572 0.701 . . . . 0.0 111.062 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 168.87 20.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.226 . . . . 0.0 112.367 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -70.6 177.65 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -109.71 117.64 34.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.14 113.34 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -110.7 17.0 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.1 t -120.64 105.16 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 18' ' ' ARG . 68.3 mt -141.02 132.99 29.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' LEU . 11.4 mtp180 -141.27 151.85 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.52 119.2 38.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -76.15 -54.85 6.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -149.72 137.22 19.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.96 102.07 11.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.88 -171.84 43.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -69.48 -56.51 7.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.3 p -117.8 16.09 14.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.2 p -145.25 150.12 36.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.0 t -142.87 145.98 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.9 t -103.44 156.01 18.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.458 HD11 ' CD2' ' A' ' 81' ' ' PHE . 44.1 mt -135.54 153.55 51.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' ARG . 4.8 mt -137.44 120.44 16.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.511 ' CH2' HD13 ' A' ' 46' ' ' ILE . 17.3 p90 -145.3 140.93 28.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -92.44 173.77 7.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.91 148.26 98.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.75 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' GLU . 54.3 Cg_endo -69.68 142.0 47.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.277 . . . . 0.0 112.399 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' PRO . 31.5 mt-10 -36.32 -65.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -128.4 102.46 20.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -21.63 32.95 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 57.16 40.68 28.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.51 -147.78 19.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.549 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 41' ' ' ILE . 16.6 mm -111.58 143.12 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.471 ' N ' HG23 ' A' ' 40' ' ' ILE . 28.5 mt -107.09 118.91 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.132 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.86 -50.15 63.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -162.7 155.08 18.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.446 ' CE1' ' HB1' ' A' ' 85' ' ' ALA . 49.1 m-85 -96.31 111.53 23.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.19 131.51 38.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.511 HD13 ' CH2' ' A' ' 31' ' ' TRP . 23.6 mt -117.08 124.75 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -101.36 118.25 36.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -127.91 122.27 32.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.584 ' CE1' ' HG3' ' A' ' 54' ' ' GLU . 31.9 p90 -137.2 158.25 44.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.539 ' HG3' ' CE1' ' A' ' 79' ' ' TYR . 3.8 mt-10 -71.3 104.89 3.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 50' ' ' GLU . 35.7 tptt -32.97 -43.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -74.88 -43.08 56.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 50' ' ' GLU . 10.3 mmmt -92.13 17.97 8.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.584 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 55.2 tt0 -41.54 -45.95 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -74.75 -24.68 58.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 53' ' ' LYS . 9.6 tp60 -56.82 -67.04 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.7 t -166.53 159.65 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -125.67 137.11 53.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.0 m -103.83 152.0 22.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.8 m -121.65 146.27 47.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 62' ' ' LYS . 6.3 tp -136.56 150.31 48.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.439 ' N ' ' HG ' ' A' ' 61' ' ' LEU . 7.8 mptt -110.1 133.24 53.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.51 133.83 46.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -92.05 -32.59 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -100.36 172.2 7.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.434 ' N ' ' OG1' ' A' ' 65' ' ' THR . 32.5 p -80.36 13.54 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -142.96 118.17 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.49 158.39 43.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.5 m -129.0 104.53 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.23 120.62 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.5 p -113.99 159.24 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.53 44.37 5.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.565 HD22 ' CE1' ' A' ' 79' ' ' TYR . 16.6 mt -113.02 173.6 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -108.42 142.82 26.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 161.51 45.63 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.51 53.3 7.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.468 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.4 m -155.12 120.31 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.75 0.309 . . . . 0.0 111.137 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.5 mtt-85 -60.07 142.88 53.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE1' HD22 ' A' ' 73' ' ' LEU . 15.6 m-85 -134.24 141.14 46.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.532 ' HB ' ' CZ ' ' A' ' 49' ' ' TYR . 17.4 t -111.13 114.65 47.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.458 ' CD2' HD11 ' A' ' 29' ' ' LEU . 49.0 m-85 -99.36 151.47 21.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -152.58 105.97 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.438 HG12 ' CD2' ' A' ' 31' ' ' TRP . 40.1 t -89.42 149.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.41 ' N ' HG13 ' A' ' 83' ' ' VAL . 24.4 ptt180 -156.23 154.98 31.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.446 ' HB1' ' CE1' ' A' ' 44' ' ' TYR . . . -99.32 142.41 30.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -126.49 136.0 52.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 81.4 p -128.08 151.2 49.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.7 p -43.01 -36.83 1.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.79 -63.31 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -156.56 -161.93 11.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.35 142.22 50.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.43 162.51 28.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -65.16 148.56 51.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -67.23 170.86 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -94.8 175.81 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -53.76 139.04 34.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.36 104.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.5 ttp -83.11 156.37 23.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -124.48 123.95 41.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.2 t -145.9 131.85 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -104.63 146.9 28.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.2 p -91.75 178.0 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.37 118.18 5.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -52.2 147.88 12.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -23.39 30.65 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.7 m -55.09 -62.37 1.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 127.71 -175.6 18.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 89.05 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.0 m -85.17 176.02 8.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.5 t -117.42 172.83 7.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 m -68.21 -46.53 70.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.388 . . . . 0.0 110.877 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -96.19 171.4 8.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.62 92.21 0.17 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -82.13 134.58 35.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -59.04 156.31 12.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.46 109.9 0.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -56.69 158.61 4.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.81 134.21 51.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.13 160.51 1.2 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.534 0.683 . . . . 0.0 111.141 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -164.86 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.5 t -107.3 170.92 7.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -103.94 112.51 25.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -53.51 127.15 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.3 m -115.84 17.55 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.1 t -128.2 109.04 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.9 mt -141.28 140.77 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 30' ' ' LEU . 55.3 mtt180 -139.4 171.46 14.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -118.82 104.92 11.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 6.7 mm-40 -68.31 -46.25 70.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.416 ' CG ' ' HB3' ' A' ' 28' ' ' SER . 11.0 ptt85 -152.14 148.78 28.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.84 118.43 19.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.27 -156.54 11.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -74.24 -66.61 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 p -111.04 17.35 20.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 p -136.86 147.01 46.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.3 t -152.61 128.14 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.416 ' HB3' ' CG ' ' A' ' 21' ' ' ARG . 37.4 t -98.36 137.35 37.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.5 mt -121.24 160.5 23.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.529 ' CD2' ' HG3' ' A' ' 67' ' ' ARG . 4.6 mt -141.83 122.55 14.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 37.9 p90 -139.65 140.03 36.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -90.94 166.65 12.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -52.72 144.94 23.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.657 0.742 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HG3' ' CD1' ' A' ' 41' ' ' ILE . 53.8 Cg_endo -69.75 -164.72 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -132.88 116.22 16.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.55 ' N ' ' CD ' ' A' ' 37' ' ' PRO . 15.5 mt-30 67.98 48.03 0.41 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 53.6 Cg_endo -69.8 5.43 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 57.85 36.1 26.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.39 -179.91 16.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.2 mp -71.87 149.84 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.4 ' CD1' ' HG3' ' A' ' 34' ' ' PRO . 16.2 mt -106.84 120.02 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.5 mt -56.68 -61.16 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.23 174.54 11.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -119.04 143.01 47.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -105.64 140.37 38.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.9 mt -123.02 117.28 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -108.87 121.48 45.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.504 ' CZ ' HG13 ' A' ' 70' ' ' VAL . 2.2 p90 -127.46 130.07 48.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 4.0 p90 -137.74 165.72 25.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.15 112.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -49.82 -52.95 28.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -70.04 -42.43 72.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -102.55 105.7 16.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -95.57 153.28 17.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 12.7 mmt 63.24 32.0 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -98.0 -68.55 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.4 p -157.05 103.81 2.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -102.29 143.99 31.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.6 m -125.78 138.8 53.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.9 p -104.21 127.16 51.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.167 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.0 tp -111.54 126.85 55.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -94.29 124.86 38.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -131.13 128.2 39.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.405 HG21 ' N ' ' A' ' 65' ' ' THR . 27.4 m -77.82 -35.66 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.528 ' HG1' ' N ' ' A' ' 66' ' ' THR . 5.1 t -99.07 157.4 16.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.528 ' N ' ' HG1' ' A' ' 65' ' ' THR . 13.2 p -61.25 -2.14 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.529 ' HG3' ' CD2' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -111.0 128.13 55.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.02 151.33 33.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 93.0 m -129.22 120.76 26.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.504 HG13 ' CZ ' ' A' ' 48' ' ' TYR . 97.7 t -82.94 113.68 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.6 p -112.56 161.73 16.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.19 39.83 8.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.443 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.421 HD21 ' CD2' ' A' ' 48' ' ' TYR . 23.8 mt -107.96 169.15 8.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.362 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -92.33 135.04 27.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 145.23 56.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.338 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.37 49.97 68.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.0 m -151.64 112.66 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 111.148 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -54.28 137.19 41.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -129.09 151.84 49.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.8 t -113.15 105.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.115 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -88.01 148.3 24.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -148.4 106.22 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 84' ' ' ARG . 57.4 t -93.23 144.59 9.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.463 ' N ' HG12 ' A' ' 83' ' ' VAL . 15.3 ptt85 -151.8 156.95 41.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.407 ' O ' ' NH1' ' A' ' 84' ' ' ARG . . . -98.44 148.04 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -129.73 113.37 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 38.2 p -103.54 163.68 12.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.8 p -51.87 -44.72 63.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.3 -59.73 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.32 -134.96 1.78 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 74.1 m -135.11 148.04 49.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.34 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.8 -146.76 21.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -107.94 157.67 18.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.94 142.52 40.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.0 p -60.93 175.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -59.06 138.16 57.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.87 113.45 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.1 ttt -101.37 146.11 28.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -116.01 124.67 51.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 94.5 t -139.13 140.13 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -110.6 131.41 55.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.2 p -79.07 177.78 8.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.99 123.09 6.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.529 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -61.59 152.72 73.58 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.827 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 158.35 57.2 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.371 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.2 m 57.23 43.34 23.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -113.57 -160.45 13.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 90.67 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.735 2.29 . . . . 0.0 112.329 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.6 t -96.98 -46.33 6.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 74.0 m -126.4 143.33 51.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -71.17 119.42 15.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -51.56 -46.49 63.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.02 73.14 0.89 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -99.58 159.17 15.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.389 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 t -104.6 123.5 47.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.69 -146.82 18.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -103.46 168.96 8.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.344 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.37 160.83 22.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.03 155.78 84.41 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.552 0.692 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 161.13 47.11 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.694 2.262 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -69.67 174.45 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -105.31 116.11 31.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 95' ' ' SER . 87.5 t -52.79 120.33 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.5 m -117.89 17.81 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.438 HG12 ' CG ' ' A' ' 32' ' ' GLN . 3.0 p -128.22 113.68 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.5 mt -142.21 147.65 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -143.8 163.32 33.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -111.85 114.57 27.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.414 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 6.3 mm-40 -78.96 -62.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -153.65 118.93 5.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.81 102.04 13.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 26' ' ' SER . . . -71.54 177.07 37.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.443 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -60.23 -54.88 40.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.891 0.377 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.7 p -111.83 14.83 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' GLY . 39.2 p -153.41 174.21 14.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 70' ' ' VAL . 2.5 p -163.96 157.85 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.459 ' N ' ' CG2' ' A' ' 27' ' ' VAL . 37.4 t -120.38 136.62 54.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.9 mt -115.56 165.66 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 67' ' ' ARG . 5.8 mt -142.32 122.99 14.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -145.72 133.53 21.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.438 ' CG ' HG12 ' A' ' 16' ' ' VAL . 2.7 pt20 -91.69 160.73 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -52.04 148.75 10.43 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 157.87 58.97 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.718 2.278 . . . . 0.0 112.33 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -46.11 -51.2 14.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -140.49 102.02 6.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -19.4 36.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.746 2.297 . . . . 0.0 112.348 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 52.08 42.54 30.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.22 -163.07 25.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.441 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.453 HD12 ' N ' ' A' ' 40' ' ' ILE . 4.7 mp -98.21 130.67 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 111.093 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.1 mt -92.01 121.41 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.75 -52.77 58.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -167.2 158.27 11.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -98.43 117.4 32.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -84.35 132.59 34.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.2 mt -120.54 111.15 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.517 ' HE3' ' CG ' ' A' ' 58' ' ' TYR . 55.0 tttt -99.83 119.09 37.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.558 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 30.9 p90 -128.9 124.86 36.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 6.5 p90 -132.48 156.68 46.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.543 ' HG3' ' CE1' ' A' ' 79' ' ' TYR . 4.5 mt-10 -53.59 105.48 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.414 ' CE ' ' OE2' ' A' ' 99' ' ' GLU . 22.1 tptp -46.64 -50.36 17.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.62 -42.21 64.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -103.14 107.14 17.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -86.36 102.11 13.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.7 mtm -88.0 138.84 31.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -50.36 -51.8 42.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 t -97.26 113.13 24.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.517 ' CG ' ' HE3' ' A' ' 47' ' ' LYS . 11.9 p90 -89.02 154.02 20.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.7 m -96.14 129.51 43.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.3 p -108.98 158.45 17.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.5 tp -130.85 126.85 37.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.43 120.48 32.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.53 128.39 46.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.5 m -82.74 -32.55 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -98.44 169.78 9.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.9 p -76.94 5.54 7.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.471 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 61.0 mtt85 -131.97 119.46 21.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.95 154.26 49.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.2 m -116.62 105.89 12.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' VAL . 53.6 t -67.7 114.45 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 t -119.5 153.02 35.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.71 55.02 2.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.492 ' CD1' HG11 ' A' ' 70' ' ' VAL . 7.7 mt -126.47 176.71 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 110.913 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -103.99 140.85 21.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.607 0.718 . . . . 0.0 110.834 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 137.3 35.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.396 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.88 50.19 68.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.499 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.8 m -148.96 113.27 5.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.35 . . . . 0.0 111.109 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -55.97 145.36 25.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.543 ' CE1' ' HG3' ' A' ' 50' ' ' GLU . 24.9 m-85 -140.1 131.45 26.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.7 t -89.64 112.67 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 71.6 m-85 -96.72 145.09 26.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 96' ' ' GLN . 12.7 mm100 -147.43 111.98 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.95 151.18 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.444 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -145.95 171.97 14.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.05 120.33 23.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.7 ttp85 -117.22 131.93 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.9 p -121.07 163.24 18.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.3 p -54.19 -41.25 68.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.92 -60.18 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.53 -165.81 13.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 2.0 t -122.82 160.37 26.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -107.13 -157.02 20.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.478 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -113.18 177.67 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 84' ' ' ARG . 4.3 m-85 -92.9 134.3 35.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 10.4 t -59.35 174.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.406 ' O ' ' OE1' ' A' ' 82' ' ' GLN . 24.4 mt-30 -54.93 139.23 41.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.03 102.93 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.6 ttt -86.91 142.02 28.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.426 ' C ' HG23 ' A' ' 100' ' ' VAL . 85.6 mt-10 -120.35 123.42 43.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.426 HG23 ' C ' ' A' ' 99' ' ' GLU . 75.9 t -141.23 131.98 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -104.73 118.73 37.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.5 p -52.06 179.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.91 110.87 3.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -61.1 150.23 79.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 2.47 3.51 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.4 m -48.27 -48.35 35.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 148.93 179.68 25.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 179.05 3.93 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.272 . . . . 0.0 112.375 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.7 t -147.73 147.46 29.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.0 m -121.68 117.41 26.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 m -81.61 15.19 2.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 m -72.9 -54.71 8.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.15 83.68 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t -86.37 149.17 25.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -149.06 114.85 5.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.78 -118.85 0.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -99.46 164.74 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 110.915 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.8 146.07 53.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.01 152.19 51.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 157.93 58.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.253 . . . . 0.0 112.295 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t -66.49 135.54 54.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.437 ' CD ' ' O ' ' A' ' 94' ' ' PHE . 12.4 tt0 -67.08 113.96 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.3 t -53.72 121.35 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 m -116.06 17.92 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.8 p -128.47 111.82 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 18' ' ' ARG . 77.3 mt -142.11 137.6 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.462 ' N ' HG22 ' A' ' 17' ' ' ILE . 11.3 mtp180 -132.61 153.61 50.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.467 ' NE2' HG11 ' A' ' 100' ' ' VAL . 2.8 tt0 -101.39 108.94 20.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.17 -61.75 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -156.85 138.44 14.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.78 106.08 16.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.84 176.0 22.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -56.6 132.72 52.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 72' ' ' GLY . 12.2 p 39.73 31.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -155.16 158.22 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.7 t -157.66 131.37 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 t -100.72 132.3 46.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.1 mt -115.93 156.53 26.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.418 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 7.2 tp -141.35 111.01 6.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -132.05 135.74 46.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -91.25 160.14 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -52.51 143.94 25.86 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.7 0.762 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -178.2 2.22 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -73.6 -66.67 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -111.8 102.02 52.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -23.77 30.46 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 52.59 46.09 27.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.53 -169.99 16.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mp -86.95 127.22 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.5 mt -89.44 102.38 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.1 mt -53.6 -57.77 9.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -156.84 173.2 17.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -108.1 156.44 19.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.476 ' HG2' ' CG2' ' A' ' 60' ' ' THR . 4.0 tt0 -120.31 129.52 54.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.2 mt -117.45 120.17 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -104.43 123.3 47.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.484 ' CD2' HG11 ' A' ' 70' ' ' VAL . 45.5 p90 -131.52 135.94 47.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 6.9 p90 -153.36 155.58 36.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 53' ' ' LYS . 4.3 mt-10 -52.63 109.93 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -50.96 -51.74 49.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.968 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -72.34 -41.64 66.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 50' ' ' GLU . 43.4 mmtt -103.24 109.5 21.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -93.41 102.08 14.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 17.5 mtm -90.71 145.43 24.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -58.97 -42.95 91.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.9 p -94.65 103.66 15.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -92.82 154.09 18.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.426 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 33.1 m -96.02 136.28 36.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.476 ' CG2' ' HG2' ' A' ' 45' ' ' GLU . 4.5 m -117.31 147.51 42.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.1 tp -129.01 126.64 39.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -90.6 146.02 24.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.99 131.42 19.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.0 m -83.45 -37.04 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t -95.73 172.18 8.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.2 p -80.0 13.89 2.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.418 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 22.5 mtp180 -135.91 130.33 33.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.47 160.95 43.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.1 m -136.51 102.3 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.484 HG11 ' CD2' ' A' ' 48' ' ' TYR . 88.8 t -68.71 102.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.1 m -102.21 161.65 13.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' THR . . . 84.91 47.91 5.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.6 mt -117.96 176.24 5.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -83.74 129.95 57.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 110.917 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 145.33 56.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.24 . . . . 0.0 112.34 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.56 44.42 85.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 96.7 m -145.25 120.95 10.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.8 0.333 . . . . 0.0 111.133 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.9 mtt85 -58.07 140.48 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -131.73 141.42 49.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -102.36 109.04 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -92.64 156.83 16.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -157.78 104.4 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 84' ' ' ARG . 87.3 t -90.08 152.16 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.579 ' CZ ' ' CZ ' ' A' ' 94' ' ' PHE . 10.5 ptt180 -159.05 155.4 27.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.81 139.07 37.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -125.78 116.85 22.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 88' ' ' SER . 77.4 p -104.84 147.65 27.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 87' ' ' THR . 13.5 m -36.52 -42.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.22 -60.57 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -163.92 -137.02 2.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.8 t -143.47 128.62 18.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.35 -143.5 2.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -109.83 169.27 8.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.579 ' CZ ' ' CZ ' ' A' ' 84' ' ' ARG . 9.3 m-85 -85.54 163.69 18.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.7 t -81.54 171.81 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -54.08 143.04 23.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.06 102.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.488 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 0.3 OUTLIER -85.54 146.21 27.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 98' ' ' MET . 37.8 mt-10 -123.17 123.46 40.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 101' ' ' GLU . 71.1 t -151.15 139.7 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.469 ' N ' HG13 ' A' ' 100' ' ' VAL . 9.9 tt0 -104.6 148.1 26.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 81.8 p -83.68 177.6 8.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.86 116.62 4.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.512 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -58.92 154.42 38.21 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 5.95 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.735 2.29 . . . . 0.0 112.31 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 m -72.41 158.05 36.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.1 177.82 1.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 2.79 3.19 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.717 2.278 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 82.7 p -100.51 17.94 20.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.8 t -93.46 -55.23 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -89.21 -46.96 8.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.389 . . . . 0.0 110.897 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -90.23 -44.84 9.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.19 138.18 7.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 m -96.18 138.99 32.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.369 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -98.84 135.19 40.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.03 -90.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.479 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -120.07 153.08 36.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.79 0.329 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.25 135.18 51.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.58 162.11 37.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 169.15 19.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.8 t -80.47 165.35 22.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -90.79 112.61 24.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.1 t -54.13 123.59 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 m -117.59 17.68 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.448 HG13 ' CG ' ' A' ' 32' ' ' GLN . 2.6 p -127.83 106.32 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.6 mt -142.32 134.23 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -138.46 170.97 15.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.434 ' NE2' HG13 ' A' ' 100' ' ' VAL . 3.4 tt0 -120.31 110.73 16.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.5 ' HG3' ' HG ' ' A' ' 30' ' ' LEU . 34.5 mt-10 -70.81 -53.47 15.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.7 mtt85 -148.06 130.94 16.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.47 102.92 10.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.055 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.84 -161.21 31.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -83.69 -47.26 11.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.7 p -117.12 17.57 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.0 p -151.1 159.23 44.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.5 t -156.31 136.19 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.7 t -103.18 145.8 29.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.9 mt -130.7 141.64 50.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.5 ' HG ' ' HG3' ' A' ' 20' ' ' GLU . 6.1 mt -122.43 123.74 42.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -145.43 135.16 23.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' CG ' HG13 ' A' ' 16' ' ' VAL . 5.6 pt20 -92.78 162.68 14.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -56.15 145.21 56.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.626 0.727 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 153.21 69.06 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.258 . . . . 0.0 112.298 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -41.56 -62.53 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -127.81 102.0 22.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -18.84 36.58 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 53.31 46.14 27.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.15 165.09 11.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -69.49 114.23 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.3 mt -72.84 121.98 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.6 mt -66.21 -57.64 7.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -165.2 163.42 20.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 64.5 m-85 -103.15 134.45 46.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -107.96 129.3 55.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.4 mt -109.7 123.98 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.558 ' HD3' ' CZ ' ' A' ' 94' ' ' PHE . 41.0 tttt -109.06 117.47 34.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.563 ' CE2' HD23 ' A' ' 73' ' ' LEU . 25.4 p90 -126.31 119.64 27.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -128.16 164.83 21.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 53' ' ' LYS . 6.1 mt-10 -60.98 103.67 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 50' ' ' GLU . 20.3 tptm -35.27 -50.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.61 -40.08 70.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 50' ' ' GLU . 58.2 mmtt -106.94 106.01 16.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.471 ' N ' ' HE3' ' A' ' 55' ' ' MET . 3.4 mt-10 -95.58 -64.77 1.03 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.471 ' HE3' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -43.99 -23.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -65.62 161.82 19.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.6 t -52.01 139.06 23.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -120.16 144.04 47.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.542 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 17.6 m -96.61 141.31 30.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.3 m -115.63 149.63 38.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.7 tp -130.59 145.43 51.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -114.51 125.75 54.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.85 128.63 41.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.8 m -84.89 -32.4 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -96.29 172.5 7.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.448 ' N ' ' OG1' ' A' ' 65' ' ' THR . 22.3 p -77.1 8.07 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.174 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -129.31 127.03 40.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.67 158.94 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.8 m -136.71 101.98 4.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.456 HG12 ' CE1' ' A' ' 48' ' ' TYR . 71.6 t -68.64 115.79 7.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.2 p -114.18 162.04 17.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.3 40.8 8.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.563 HD23 ' CE2' ' A' ' 48' ' ' TYR . 47.5 mt -104.42 169.04 8.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -96.29 135.95 22.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 110.908 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 160.35 50.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.254 . . . . 0.0 112.374 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.62 41.47 9.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.8 m -144.59 119.12 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 111.156 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -63.6 140.96 58.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -132.38 141.32 48.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.5 t -105.15 107.32 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -85.55 152.14 23.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.557 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 85.8 mt-30 -156.83 105.77 2.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.431 HG11 ' N ' ' A' ' 84' ' ' ARG . 41.8 t -89.57 144.18 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.551 ' HD3' ' CE1' ' A' ' 94' ' ' PHE . 7.8 ptt85 -142.78 139.94 31.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.434 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -99.66 125.77 45.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -112.77 146.81 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 36.5 p -128.25 163.83 23.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.8 t -48.83 -43.01 38.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.89 -61.2 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.99 -166.14 20.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 29.3 p -126.25 148.35 49.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.05 -179.6 26.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.541 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -68.73 165.37 19.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.558 ' CZ ' ' HD3' ' A' ' 47' ' ' LYS . 11.6 m-85 -58.32 172.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.8 p -81.36 -70.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -161.29 164.54 30.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.27 102.13 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.445 ' HE3' ' CG2' ' A' ' 100' ' ' VAL . 7.8 ttt -106.29 130.33 54.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -102.16 124.49 47.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.445 ' CG2' ' HE3' ' A' ' 98' ' ' MET . 99.5 t -136.3 134.22 49.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -107.21 122.02 45.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.3 p -72.83 160.56 31.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.175 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.76 132.91 52.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -63.19 150.02 89.85 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.543 0.687 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 148.7 66.04 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.715 2.276 . . . . 0.0 112.337 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.5 m -128.01 170.24 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -98.81 154.89 20.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 1.14 4.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.6 p -57.34 130.14 44.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.2 m -75.79 159.7 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t 64.31 42.3 5.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 t -99.71 120.22 39.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.82 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.83 107.14 3.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -133.27 149.05 51.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.903 0.383 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -102.22 169.8 8.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.6 -153.26 19.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -90.5 151.59 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.97 161.07 29.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.8 163.34 49.38 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 171.89 13.64 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.643 2.229 . . . . 0.0 112.324 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 t -93.75 127.79 39.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -57.13 125.54 23.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.446 ' O ' ' CB ' ' A' ' 95' ' ' SER . 83.9 t -66.69 123.88 20.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.2 m -116.67 18.0 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.5 p -126.27 104.55 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.415 ' C ' ' HG3' ' A' ' 18' ' ' ARG . 83.2 mt -142.89 141.84 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.415 ' HG3' ' C ' ' A' ' 17' ' ' ILE . 6.5 mtp85 -141.27 171.72 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.493 ' CG ' ' HB1' ' A' ' 22' ' ' ALA . 4.3 tt0 -105.37 130.01 53.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 1.6 mm-40 -97.99 -70.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -97.62 -66.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB1' ' CG ' ' A' ' 19' ' ' GLN . . . 67.98 42.32 1.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' ALA . . . -53.98 -167.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 105' ' ' PRO . 1.6 tt0 -74.87 -60.29 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.6 p -101.12 13.37 35.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.4 p -147.22 153.88 40.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.9 t -151.65 139.45 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.0 t -115.08 137.27 52.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.4 mt -116.86 143.04 46.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.501 ' CD2' ' HG3' ' A' ' 67' ' ' ARG . 3.6 mt -120.22 120.88 37.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -140.42 134.13 30.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -91.35 167.42 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -52.12 137.33 37.91 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.647 0.737 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.8 Cg_endo -69.79 155.63 65.33 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' PRO . 22.8 mt-10 -35.79 -67.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -137.66 101.97 8.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -5.15 15.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.338 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 52.1 40.78 29.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.39 -144.42 16.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 41' ' ' ILE . 16.3 mm -111.08 138.41 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 111.118 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.453 ' N ' HG22 ' A' ' 40' ' ' ILE . 46.1 mt -102.61 107.71 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.0 mt -51.12 -59.54 4.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -149.43 158.56 44.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -100.14 113.95 26.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.47 ' HG2' ' CG2' ' A' ' 60' ' ' THR . 9.6 tt0 -83.53 129.69 34.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.9 mt -114.41 127.4 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -109.94 119.36 39.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.509 ' CG ' HG12 ' A' ' 70' ' ' VAL . 48.2 p90 -131.81 135.0 46.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -151.74 162.88 40.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.17 109.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -48.01 -54.98 11.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -68.67 -42.66 77.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -101.78 103.99 14.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.467 ' N ' ' HE2' ' A' ' 55' ' ' MET . 0.5 OUTLIER -109.37 103.19 12.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.467 ' HE2' ' N ' ' A' ' 54' ' ' GLU . 19.3 mmt -112.39 177.17 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -64.16 -53.35 50.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.9 m -66.85 115.8 7.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -124.57 154.2 41.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.449 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 70.0 m -96.04 129.11 43.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.47 ' CG2' ' HG2' ' A' ' 45' ' ' GLU . 14.9 m -117.16 140.16 49.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.2 tp -125.49 128.31 47.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -96.72 141.34 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.405 ' CB ' ' HB1' ' A' ' 68' ' ' ALA . . . -142.56 128.09 19.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.112 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.0 m -78.56 -30.11 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.449 ' C ' ' H ' ' A' ' 67' ' ' ARG . 8.8 t -100.85 153.72 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.7 p -58.86 -5.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.501 ' HG3' ' CD2' ' A' ' 30' ' ' LEU . 2.2 mpt_? -114.87 121.72 44.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.405 ' HB1' ' CB ' ' A' ' 63' ' ' ALA . . . -135.29 163.93 28.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.0 m -141.59 110.59 6.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.509 HG12 ' CG ' ' A' ' 48' ' ' TYR . 49.5 t -80.0 107.48 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.7 m -107.28 161.64 14.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.95 39.9 7.3 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.8 mt -112.98 173.65 6.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -96.77 138.88 21.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.55 0.69 . . . . 0.0 110.948 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 160.58 49.18 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.08 47.29 10.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 98.8 m -146.14 117.1 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 0.0 111.192 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -61.38 139.53 58.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -133.01 145.82 51.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 41.8 t -104.9 104.52 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -89.33 146.13 24.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -148.51 102.46 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 84' ' ' ARG . 49.8 t -89.82 140.79 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.441 ' N ' HG11 ' A' ' 83' ' ' VAL . 41.3 ptt85 -141.47 161.59 37.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.806 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.452 ' CB ' HG22 ' A' ' 41' ' ' ILE . . . -108.69 132.92 53.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -108.91 135.65 49.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.5 p -128.32 147.55 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.6 p -49.49 -37.56 26.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.97 76.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.47 -142.17 3.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 28.0 p -140.21 157.57 45.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -102.41 -116.81 4.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -142.72 150.26 39.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -65.15 141.97 58.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 88.1 p -57.18 169.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.85 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -54.77 148.98 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.3 105.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.435 ' HE3' ' CG2' ' A' ' 100' ' ' VAL . 10.4 ttt -100.02 131.26 46.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -106.45 124.07 49.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.435 ' CG2' ' HE3' ' A' ' 98' ' ' MET . 95.7 t -137.76 131.66 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -106.07 118.1 35.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.0 p -67.66 155.61 38.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -49.0 125.2 14.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -65.45 150.22 96.17 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.526 0.679 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.427 ' HA ' ' NE2' ' A' ' 24' ' ' GLN . 52.9 Cg_endo -69.78 1.9 4.03 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.7 p -99.17 168.07 10.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -140.79 159.92 26.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.258 . . . . 0.0 112.367 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 68.7 p -157.44 151.08 24.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.8 m -42.38 -44.9 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -113.58 118.16 33.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -63.43 -58.84 5.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.38 165.2 11.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 m -134.5 156.29 48.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 m -120.89 159.99 24.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.07 -159.81 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -65.25 173.99 2.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.24 153.55 27.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.71 152.0 87.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 178.69 4.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.0 t -94.75 179.56 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 95' ' ' SER . 30.3 tt0 -108.49 130.47 55.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.425 HG23 ' HB3' ' A' ' 95' ' ' SER . 28.6 m -82.99 109.88 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.38 17.99 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.507 ' CG1' ' HG2' ' A' ' 32' ' ' GLN . 2.3 p -119.03 106.72 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.085 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.7 mt -142.9 132.7 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -130.43 161.27 31.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -107.57 104.26 13.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.49 -54.47 39.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 12.1 mtp-105 -155.05 132.74 11.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.43 103.03 14.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' SER . . . -80.12 173.55 54.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.63 -46.63 65.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.3 p -117.95 14.61 14.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.08 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 23' ' ' GLY . 19.9 m -153.33 152.04 30.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.4 t -135.1 138.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.7 t -105.37 138.19 41.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.428 HD13 ' CD1' ' A' ' 81' ' ' PHE . 67.0 mt -115.42 174.72 5.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.3 tp -157.85 109.47 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.406 ' CH2' HD11 ' A' ' 46' ' ' ILE . 31.8 p90 -129.38 167.75 17.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.946 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.507 ' HG2' ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -132.2 160.06 37.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -52.03 144.23 21.4 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.639 0.733 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 174.06 10.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.22 -39.83 86.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.407 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 59.6 mt-30 -141.62 102.0 5.98 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.8 Cg_endo -69.73 -18.58 37.08 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 54.71 42.76 30.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.59 -161.08 24.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mp -97.02 126.39 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 75.1 mt -96.77 119.63 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.11 -65.85 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.476 ' C ' ' CD ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -143.69 175.15 10.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 85' ' ' ALA . 52.7 m-85 -119.31 120.82 38.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' OE2' ' N ' ' A' ' 61' ' ' LEU . 6.1 tp10 -86.97 143.38 27.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.406 HD11 ' CH2' ' A' ' 31' ' ' TRP . 15.2 mt -121.24 120.57 62.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . 80.0 tttt -99.86 117.45 34.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.526 ' CG ' HG11 ' A' ' 70' ' ' VAL . 54.8 p90 -132.84 122.95 25.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 54' ' ' GLU . 25.5 p90 -140.1 165.16 28.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.2 mt-10 -66.63 112.84 4.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -54.25 -49.62 69.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.31 -47.69 81.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' C ' ' HE3' ' A' ' 55' ' ' MET . 73.1 mmtt -72.07 -68.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.561 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 7.8 tt0 67.99 48.01 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.476 ' HE3' ' N ' ' A' ' 55' ' ' MET . 29.2 mmt -71.0 140.95 50.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -41.44 -55.09 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.6 p -62.0 108.92 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -103.1 154.51 19.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.4 m -95.82 132.17 41.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 p -114.39 129.25 56.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.502 ' N ' ' OE2' ' A' ' 45' ' ' GLU . 11.0 tp -116.86 130.05 56.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -92.01 136.75 32.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.33 128.32 18.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.7 m -83.59 -33.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.42 167.2 11.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.6 p -81.98 16.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -140.43 125.81 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.95 165.77 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.5 m -132.65 107.14 8.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.526 HG11 ' CG ' ' A' ' 48' ' ' TYR . 98.6 t -70.05 106.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.6 m -111.11 143.52 41.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.66 46.56 0.96 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.556 HD23 ' CE1' ' A' ' 79' ' ' TYR . 8.6 mt -121.06 177.61 5.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -99.56 142.59 24.89 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.589 0.709 . . . . 0.0 110.882 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 162.53 41.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.374 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 39.42 47.95 2.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.0 m -145.37 116.49 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 111.146 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -57.28 145.69 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.556 ' CE1' HD23 ' A' ' 73' ' ' LEU . 9.8 m-85 -135.06 161.48 35.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.2 t -124.37 112.11 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.428 ' CD1' HD13 ' A' ' 29' ' ' LEU . 96.9 m-85 -101.26 153.41 19.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.536 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 26.3 mt-30 -156.4 118.12 3.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.429 HG11 ' N ' ' A' ' 84' ' ' ARG . 96.4 t -99.09 135.73 33.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.429 ' N ' HG11 ' A' ' 83' ' ' VAL . 37.6 ptt180 -142.7 152.44 42.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.56 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . . . -98.34 121.53 40.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.433 ' NE ' ' HG ' ' A' ' 91' ' ' CYS . 23.7 ttm180 -101.92 116.95 33.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 88' ' ' SER . 82.7 p -113.57 143.6 44.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 87' ' ' THR . 77.6 p -35.12 -38.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.45 -54.1 49.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.14 177.36 47.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.433 ' HG ' ' NE ' ' A' ' 86' ' ' ARG . 71.0 m -81.53 159.97 24.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -111.91 166.23 12.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -68.74 144.17 54.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.536 ' CD1' ' HB3' ' A' ' 82' ' ' GLN . 6.8 m-85 -62.24 131.28 48.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 25.9 p -37.91 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.511 ' CG ' ' O ' ' A' ' 95' ' ' SER . 18.8 mt-30 -168.52 159.27 10.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.19 102.01 8.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.468 ' HE2' ' CG2' ' A' ' 100' ' ' VAL . 4.6 ttt -107.31 126.19 52.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -99.07 123.87 43.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.468 ' CG2' ' HE2' ' A' ' 98' ' ' MET . 71.8 t -136.38 131.77 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -103.54 125.15 49.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.7 p -71.89 159.28 34.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.44 126.51 34.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -67.39 150.03 98.08 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.564 0.697 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 175.0 8.69 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.3 t -160.71 153.68 21.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 172.0 -160.73 32.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 94.0 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.644 2.23 . . . . 0.0 112.387 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.5 p -114.36 176.34 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 93.1 p -139.25 154.2 47.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.456 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -59.55 167.84 1.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.381 . . . . 0.0 110.845 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -107.13 158.94 16.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.84 -126.09 1.0 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t 62.34 41.54 10.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -93.76 152.33 19.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.05 176.24 24.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.407 ' HB2' ' CB ' ' A' ' 89' ' ' ALA . 15.5 mp0 -82.83 160.16 22.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.06 144.02 31.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.44 145.93 18.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.552 0.692 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.448 ' HA ' ' OD1' ' A' ' 38' ' ' ASN . 54.2 Cg_endo -69.79 137.62 35.79 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 36' ' ' GLN . 3.2 m -59.5 159.78 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -82.86 148.08 27.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.51 ' O ' ' CB ' ' A' ' 95' ' ' SER . 52.9 t -94.02 123.18 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.0 m -112.62 13.44 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.48 ' CG1' ' HG2' ' A' ' 32' ' ' GLN . 85.5 t -118.88 105.46 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -142.3 132.08 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -130.45 152.79 49.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.451 ' NE2' ' HB2' ' A' ' 22' ' ' ALA . 46.7 tt0 -96.36 111.46 23.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -76.75 -59.69 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -156.9 120.56 4.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB2' ' NE2' ' A' ' 19' ' ' GLN . . . -101.66 102.08 12.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 26' ' ' SER . . . -71.83 -177.72 28.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -64.2 -52.76 57.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.9 p -114.51 15.92 17.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' GLY . 31.3 p -153.74 171.95 18.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 70' ' ' VAL . 2.7 p -163.19 152.97 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.1 t -117.25 143.24 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.9 mt -120.39 171.61 8.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.448 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 7.8 tp -154.13 107.31 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 43.3 p90 -123.45 149.66 44.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.964 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.48 ' HG2' ' CG1' ' A' ' 16' ' ' VAL . 5.9 pt20 -98.33 157.98 15.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -52.47 146.91 15.55 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.643 0.735 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' GLN . 53.5 Cg_endo -69.82 139.79 40.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' PRO . 42.0 mt-10 -34.5 -34.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.504 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 8.5 mt-30 -151.11 102.04 2.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.504 ' OD1' ' O ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER 53.06 38.9 28.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.31 -165.08 14.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.9 mp -81.71 129.01 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 111.15 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.0 mt -96.2 125.8 48.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt -68.01 -53.33 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -166.43 166.31 16.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.44 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 58.3 m-85 -106.15 140.08 39.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.56 135.08 45.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.3 mt -118.97 107.5 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -103.16 124.19 48.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.574 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 3.9 p90 -133.55 132.87 41.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -132.81 170.79 14.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' LYS . 3.5 mt-10 -64.55 102.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 50' ' ' GLU . 22.4 tptp -36.62 -47.34 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -71.66 -43.75 65.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -100.01 106.42 18.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -92.54 144.21 25.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.434 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 6.3 mmt 53.64 32.2 14.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -116.05 -37.68 3.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.0 m -157.83 102.85 1.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -123.07 139.69 53.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.555 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 15.3 m -125.6 123.74 39.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 m -96.08 127.56 42.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.217 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tp -107.66 141.89 38.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -106.55 118.29 36.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.63 128.37 44.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.2 m -79.23 -35.74 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.6 t -97.33 172.59 7.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.5 p -76.64 7.66 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.448 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 18.5 mtp180 -125.95 133.0 51.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.66 163.36 36.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.1 m -127.44 103.21 7.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 27' ' ' VAL . 73.8 t -67.18 103.86 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.489 ' HG ' ' N ' ' A' ' 72' ' ' GLY . 28.7 t -112.8 158.09 20.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.489 ' N ' ' HG ' ' A' ' 71' ' ' SER . . . 84.74 56.41 2.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.475 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 mt -127.77 177.79 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.898 0.38 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -103.93 140.5 21.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.535 0.683 . . . . 0.0 110.928 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 138.75 38.47 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.35 49.84 74.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.3 m -146.96 110.99 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 111.138 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -52.44 149.52 5.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -146.88 133.04 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 82.3 t -95.08 106.87 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 94.7 m-85 -91.09 153.82 19.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -157.13 110.14 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 84' ' ' ARG . 45.4 t -89.01 143.25 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.47 ' N ' HG13 ' A' ' 83' ' ' VAL . 1.3 ptp180 -142.65 160.5 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.44 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -107.52 143.3 36.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ttt85 -128.05 130.94 49.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 88' ' ' SER . 23.8 p -123.29 149.57 44.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 87' ' ' THR . 41.9 t -37.93 -47.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.407 ' CB ' ' HB2' ' A' ' 8' ' ' GLN . . . -54.51 -65.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -159.26 -141.06 3.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.6 m -131.76 159.47 38.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -100.43 -121.33 4.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -134.17 156.26 48.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.424 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 3.4 m-85 -75.0 132.3 41.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 27.3 p -52.21 178.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -60.55 148.4 38.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.58 106.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.413 ' HG2' ' N ' ' A' ' 99' ' ' GLU . 2.1 ttt -95.37 142.63 27.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.413 ' N ' ' HG2' ' A' ' 98' ' ' MET . 29.6 mt-10 -120.51 124.05 44.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 79.5 t -144.99 131.54 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -100.75 120.46 40.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.6 p -52.38 -179.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.05 108.6 2.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -54.96 150.62 18.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 110.835 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 89.63 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.3 m -141.51 165.67 26.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.829 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -123.43 168.35 15.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 109' ' ' SER . 53.2 Cg_endo -69.73 4.14 2.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' PRO . 27.1 t -34.31 -42.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.4 t -114.73 127.78 55.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.456 179.941 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -63.05 -57.43 10.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 p -118.89 158.97 24.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.8 -100.52 0.98 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 m -43.76 -44.85 6.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -55.91 147.92 18.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.06 -130.47 1.12 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -71.9 121.94 19.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.332 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.23 155.23 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 153.56 89.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.726 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -174.91 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.42 ' CB ' ' H ' ' A' ' 36' ' ' GLN . 7.6 t -90.98 131.61 36.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -57.4 108.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -52.01 102.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.403 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 0.5 OUTLIER -100.77 -2.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 32' ' ' GLN . 33.4 t -92.55 104.77 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.9 mt -142.68 124.31 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -133.34 160.47 37.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -105.73 103.06 12.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -65.7 -58.6 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -141.78 169.07 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -151.46 122.75 7.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.21 -147.27 17.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -89.63 -53.19 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.4 p -117.76 17.96 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.8 p -141.91 160.74 39.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.7 t -154.96 132.33 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.4 t -96.94 135.84 38.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.56 HD12 ' CD1' ' A' ' 81' ' ' PHE . 30.3 mt -121.69 140.59 52.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.475 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 9.6 tp -128.29 109.5 11.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.462 ' CH2' HD11 ' A' ' 46' ' ' ILE . 43.5 p90 -121.2 144.75 48.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.481 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . 9.6 mt-30 -94.65 161.77 14.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -57.71 160.63 7.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.695 0.759 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' GLN . 54.4 Cg_endo -69.71 122.12 8.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' PRO . 20.9 mt-10 -32.6 -35.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 34' ' ' PRO . 20.2 mt-30 -148.67 102.26 3.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.579 0.704 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -34.56 14.17 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.256 . . . . 0.0 112.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 56.56 35.65 26.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.68 -156.28 26.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mp -101.36 141.82 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.5 mt -107.76 132.0 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mt -81.21 -60.01 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -161.37 170.51 19.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.553 ' CE2' ' HB1' ' A' ' 85' ' ' ALA . 83.3 m-85 -109.49 149.13 30.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -119.38 144.2 47.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.462 HD11 ' CH2' ' A' ' 31' ' ' TRP . 13.2 mt -126.6 118.18 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -103.43 119.17 38.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -124.73 132.02 53.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 54' ' ' GLU . 4.1 p90 -149.34 167.07 27.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -69.71 102.28 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -46.26 -31.35 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.473 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 21.9 t70 -74.37 -48.01 30.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -74.41 -66.12 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.569 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 6.7 tt0 56.25 47.96 18.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.18 173.9 9.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.32 -48.02 77.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.9 t -64.05 104.17 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -123.4 149.42 45.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.01 153.51 17.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.87 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.3 m -133.4 146.09 50.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 tp -122.49 155.23 36.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -120.18 133.83 55.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.71 133.06 23.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.4 m -86.9 -31.51 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.9 t -97.82 166.69 11.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.1 p -81.0 17.97 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.475 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 33.0 mtm180 -136.64 123.86 21.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.74 151.26 32.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.4 m -124.53 105.78 9.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.2 t -64.94 108.74 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 t -111.12 155.43 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.99 40.2 4.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 mt -112.93 164.75 13.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -88.33 142.41 31.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.569 0.699 . . . . 0.0 110.932 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 150.06 67.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.258 . . . . 0.0 112.33 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 53.57 45.28 67.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 39.6 m -145.96 107.66 4.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 111.132 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -54.72 146.64 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -139.94 130.17 25.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.449 HG21 ' CB ' ' A' ' 51' ' ' LYS . 99.5 t -90.3 119.5 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.56 ' CD1' HD12 ' A' ' 29' ' ' LEU . 96.0 m-85 -101.93 151.83 21.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.503 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 47.0 mt-30 -150.71 115.06 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 84' ' ' ARG . 62.1 t -106.28 143.77 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.555 ' HD3' ' CD1' ' A' ' 94' ' ' PHE . 20.2 ptt180 -153.3 153.28 32.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.553 ' HB1' ' CE2' ' A' ' 44' ' ' TYR . . . -101.71 135.54 43.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -118.26 111.93 19.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 88' ' ' SER . 61.5 p -102.35 141.97 34.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 87' ' ' THR . 1.6 t -33.87 -42.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.56 -64.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.092 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.47 179.09 27.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.432 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 53.7 t -109.02 132.12 54.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -77.45 171.6 55.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -90.05 144.91 25.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.355 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.555 ' CD1' ' HD3' ' A' ' 84' ' ' ARG . 7.3 m-85 -57.43 131.39 49.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.6 t -58.22 175.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -52.29 145.66 10.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.06 109.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.488 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 1.4 tpt -79.09 146.87 32.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 98' ' ' MET . 10.6 mt-10 -124.12 124.24 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.422 HG22 ' C ' ' A' ' 99' ' ' GLU . 96.2 t -155.44 140.48 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -109.15 148.1 31.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 46.5 p -91.67 172.77 8.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -68.48 127.82 23.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -66.11 149.35 97.82 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.701 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.58 3.39 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 99.2 p -45.32 -50.73 11.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -161.38 156.82 28.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -13.45 34.64 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 110' ' ' SER . 2.1 m -125.55 160.62 29.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 109' ' ' SER . 2.8 t -37.91 -57.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -42.21 -60.53 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 m -56.72 123.07 13.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.49 70.35 0.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 m -80.24 -59.02 2.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.914 0.388 . . . . 0.0 110.899 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -53.24 123.99 13.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.35 -124.08 0.97 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -112.14 160.56 17.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.954 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.92 156.3 24.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.57 150.87 57.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.702 . . . . 0.0 111.062 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.57 65.28 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.383 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.0 p -71.39 131.05 42.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -54.72 121.52 8.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.43 120.07 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.9 m -109.89 17.98 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.3 p -129.7 114.3 30.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.9 mt -142.89 137.36 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -135.47 139.47 44.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -94.31 104.22 16.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.427 ' C ' ' HG2' ' A' ' 21' ' ' ARG . 13.4 mt-10 -58.42 -63.46 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.427 ' HG2' ' C ' ' A' ' 20' ' ' GLU . 26.8 mmt85 -149.65 147.69 28.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.01 103.01 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.6 175.88 17.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -55.6 133.57 50.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 73' ' ' LEU . 27.2 p 39.87 32.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.8 p -154.61 146.33 23.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.0 t -156.29 131.06 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.2 t -101.21 129.91 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.588 HD11 ' CD1' ' A' ' 81' ' ' PHE . 94.8 mt -116.78 133.99 55.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.3 tp -127.58 102.02 6.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 45.9 p90 -112.99 143.71 43.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.492 ' OE1' ' N ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -91.82 148.09 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' A' ' 32' ' ' GLN . 2.7 mt-10 -51.95 150.13 8.17 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.642 0.734 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 138.33 37.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.3 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.44 -37.91 40.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -133.61 101.96 12.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.569 0.699 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -35.04 13.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 55.29 45.49 25.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.9 -163.29 25.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mp -98.5 126.41 51.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.7 mt -91.71 110.53 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.21 -62.97 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -156.06 159.52 39.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CE2' ' HB1' ' A' ' 85' ' ' ALA . 60.7 m-85 -99.59 135.78 40.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -102.29 137.55 40.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.8 mt -118.76 116.03 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . 51.3 tttt -100.29 115.38 29.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 59' ' ' SER . 33.1 p90 -128.04 126.83 42.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.442 ' CE1' ' HG3' ' A' ' 54' ' ' GLU . 4.0 p90 -144.1 165.53 27.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 53' ' ' LYS . 9.1 mt-10 -54.6 111.08 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 tptp -42.07 -53.48 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.5 -40.39 64.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.462 ' HB2' ' CB ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -101.53 104.9 15.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.442 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 3.0 mp0 -96.66 -59.47 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.461 ' O ' ' C ' ' A' ' 56' ' ' GLN . 21.8 mmt -55.49 -39.02 69.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 55' ' ' MET . 54.2 tp60 -33.35 -68.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.9 t -168.39 152.02 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -126.15 136.5 52.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 48' ' ' TYR . 4.9 m -108.79 146.95 32.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.7 m -126.85 145.42 50.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 tp -136.26 133.21 36.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -99.98 126.45 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.37 128.59 44.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.4 m -77.05 -35.86 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 t -99.14 169.6 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.6 p -80.97 15.3 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -134.62 123.33 23.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.11 145.04 21.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.7 m -114.1 103.82 11.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.15 103.03 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.4 m -110.91 135.13 51.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.26 37.14 0.76 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 25' ' ' THR . 19.9 mt -112.52 176.71 4.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.915 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -92.83 143.06 26.36 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 110.917 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.94 64.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.41 39.94 37.55 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.555 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.0 m -135.33 112.91 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 0.0 111.167 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -55.25 151.41 9.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -144.14 152.89 41.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 98' ' ' MET . 98.9 t -112.03 111.34 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.588 ' CD1' HD11 ' A' ' 29' ' ' LEU . 83.6 m-85 -95.57 150.4 20.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -153.34 108.12 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 84' ' ' ARG . 59.5 t -91.26 143.1 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.492 ' N ' HG12 ' A' ' 83' ' ' VAL . 28.8 ptt180 -146.32 158.58 43.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.567 ' HB1' ' CE2' ' A' ' 44' ' ' TYR . . . -112.99 126.66 55.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -114.0 135.96 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' SER . 60.1 p -129.35 152.92 48.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' THR . 94.1 p -38.44 -43.68 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.18 -59.02 4.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -160.82 -135.43 1.82 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 42.5 t -146.21 127.38 14.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.344 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -72.94 -174.49 26.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -95.72 157.25 15.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.352 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 47' ' ' LYS . 4.3 m-85 -71.16 132.66 45.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.1 p -52.07 177.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -58.94 144.9 43.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.63 107.27 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.413 ' O ' ' HA ' ' A' ' 80' ' ' VAL . 16.5 ttt -92.15 147.1 23.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.407 ' C ' HG21 ' A' ' 100' ' ' VAL . 45.5 mt-10 -121.75 123.58 42.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.407 HG21 ' C ' ' A' ' 99' ' ' GLU . 75.6 t -145.6 141.16 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -112.87 149.27 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 62.6 p -90.18 179.22 5.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.13 136.32 25.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.68 143.14 50.2 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.85 24.19 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.3 t -39.76 -59.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -122.83 -171.98 13.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 93.15 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.312 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.3 t -47.73 -56.43 7.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.4 t -49.02 -52.52 24.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.439 -0.265 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.1 p -64.01 -42.59 97.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.823 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.8 p -119.16 110.78 17.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.75 -117.22 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 t -74.08 127.74 33.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.873 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -94.42 -49.48 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.89 -78.15 0.27 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -87.8 167.71 13.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.7 167.54 13.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.5 150.87 52.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 174.57 9.32 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -88.62 178.8 6.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.474 ' OE1' ' C ' ' A' ' 14' ' ' VAL . 0.7 OUTLIER -101.12 125.53 47.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.474 ' C ' ' OE1' ' A' ' 13' ' ' GLN . 15.1 m -74.06 112.81 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 m -100.17 17.92 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.0 t -117.49 105.3 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.447 ' CD1' ' OG ' ' A' ' 95' ' ' SER . 10.1 mt -141.72 127.47 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -134.29 145.27 48.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.465 ' NE2' HG12 ' A' ' 100' ' ' VAL . 4.5 tt0 -90.73 112.11 23.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.459 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 3.6 mm-40 -69.43 -55.94 8.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -152.73 156.25 38.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.05 122.09 16.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -129.36 -159.78 9.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -67.31 122.55 18.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 p 42.41 31.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' HG21 ' A' ' 27' ' ' VAL . 35.3 p -148.4 134.64 19.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.423 HG21 ' C ' ' A' ' 26' ' ' SER . 95.9 t -145.49 141.62 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.2 t -109.27 141.14 41.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.441 HD13 ' CD1' ' A' ' 81' ' ' PHE . 82.2 mt -121.49 151.82 39.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.459 ' HG ' ' CG ' ' A' ' 20' ' ' GLU . 3.9 mt -136.16 113.23 10.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.457 ' CG ' HG11 ' A' ' 83' ' ' VAL . 31.8 p90 -133.36 163.81 28.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -123.27 163.82 19.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -54.33 145.9 34.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.7 Cg_endo -69.77 145.92 58.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 34' ' ' PRO . 35.0 mt-10 -32.27 -63.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -122.31 102.03 40.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -25.56 28.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 53.23 38.97 28.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.91 171.22 12.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.2 mp -67.66 133.94 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.528 HG21 ' CE1' ' A' ' 44' ' ' TYR . 50.4 mt -92.33 107.72 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -51.7 -56.48 13.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -167.85 161.21 12.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.528 ' CE1' HG21 ' A' ' 41' ' ' ILE . 41.9 m-85 -100.04 152.75 19.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 84' ' ' ARG . 10.4 mt-10 -125.46 131.49 52.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.2 mp -110.11 135.6 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.484 ' HG3' ' CD2' ' A' ' 58' ' ' TYR . 11.7 tttp -111.83 115.33 28.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' A' ' 59' ' ' SER . 30.9 p90 -123.65 119.34 29.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.551 ' CE1' ' HG3' ' A' ' 54' ' ' GLU . 10.8 p90 -133.41 158.41 43.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 53' ' ' LYS . 3.7 mt-10 -56.11 109.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -49.18 -53.34 21.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.97 -42.69 72.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 50' ' ' GLU . 49.1 mmtt -101.82 106.16 17.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.551 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 9.4 mp0 -103.24 114.76 29.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.37 149.02 50.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -47.76 -42.41 25.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.1 t -74.08 111.33 9.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.484 ' CD2' ' HG3' ' A' ' 47' ' ' LYS . 45.0 p90 -122.87 154.42 38.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.478 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 24.7 m -95.98 134.46 38.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.4 m -119.67 138.61 53.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.6 tp -113.47 140.6 47.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -101.87 117.47 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.53 128.63 52.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.3 m -82.68 -35.11 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 66' ' ' THR . 1.5 t -98.89 175.53 5.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.446 ' N ' ' OG1' ' A' ' 65' ' ' THR . 20.6 p -82.2 15.85 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.423 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 61.6 mtt-85 -139.67 128.67 23.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.81 152.82 31.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.0 m -121.03 105.45 10.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.6 t -68.9 102.66 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 t -106.98 161.9 14.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.05 37.6 9.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.443 ' CD2' ' CD2' ' A' ' 48' ' ' TYR . 16.5 mt -104.34 178.97 4.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -87.08 133.47 38.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.519 0.676 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 145.21 56.34 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.65 42.31 51.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.6 m -143.43 116.05 8.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 111.177 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.4 mtt-85 -57.31 142.43 43.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -132.97 140.37 47.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.506 HG22 ' CE1' ' A' ' 49' ' ' TYR . 42.9 t -96.97 110.6 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.441 ' CD1' HD13 ' A' ' 29' ' ' LEU . 93.7 m-85 -91.67 153.53 19.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.467 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 45.6 mt-30 -157.63 116.56 3.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 84' ' ' ARG . 67.4 t -88.92 148.25 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.482 ' N ' HG12 ' A' ' 83' ' ' VAL . 4.0 ptp180 -151.96 160.08 43.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.61 170.33 8.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.7 ttm-85 -147.38 107.77 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.7 p -124.53 149.21 47.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 p -39.52 -50.84 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.14 -60.71 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -147.32 -177.14 21.58 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 92' ' ' GLY . 78.6 m -112.14 17.2 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 91' ' ' CYS . . . 43.96 -169.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -112.39 159.45 18.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.472 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 13.9 m-85 -59.74 171.23 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.447 ' OG ' ' CD1' ' A' ' 17' ' ' ILE . 78.5 p -79.03 -78.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 95' ' ' SER . 39.0 mt-30 -163.27 160.62 24.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.08 102.0 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.503 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 1.4 tpt -93.42 149.23 21.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.503 ' N ' ' HG3' ' A' ' 98' ' ' MET . 32.2 mt-10 -125.1 124.5 42.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.465 HG12 ' NE2' ' A' ' 19' ' ' GLN . 92.5 t -152.8 149.52 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.439 ' N ' HG11 ' A' ' 100' ' ' VAL . 5.6 tt0 -116.45 141.39 48.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 75.7 p -81.8 176.6 9.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.95 116.6 4.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -58.19 154.34 31.39 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.524 0.678 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 135.72 31.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.4 m -121.14 148.04 44.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -159.58 145.89 12.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.474 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 123.73 10.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.5 m -123.7 116.12 22.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.7 m -68.95 144.74 54.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.833 0.349 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.474 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -76.13 152.58 84.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.541 0.686 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 163.73 37.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -70.54 176.44 4.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -114.13 115.82 28.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.3 t -56.77 125.99 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 m -117.91 11.63 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.7 t -122.54 114.72 43.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.7 mt -142.13 136.54 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 mtt-85 -138.14 151.15 47.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.637 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 7.7 tt0 -93.81 120.9 34.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -83.01 -47.54 11.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.7 mtt85 -154.12 116.55 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.637 ' HB2' ' CD ' ' A' ' 19' ' ' GLN . . . -97.16 102.41 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' SER . . . -81.94 179.04 53.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -70.04 -44.73 68.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.3 p -117.1 -12.73 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' GLY . 64.0 p -124.17 144.49 49.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.64 143.9 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.3 t -106.68 161.04 15.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -136.47 162.57 32.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 14.0 tp -154.06 110.54 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.456 ' CD2' HG11 ' A' ' 83' ' ' VAL . 46.2 p90 -125.37 173.31 8.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 33' ' ' GLU . 4.2 pp0? -112.33 169.92 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.497 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 4.2 mt-10 -67.66 146.25 98.45 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.608 0.718 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' GLU . 54.0 Cg_endo -69.74 135.04 29.49 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.382 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' PRO . 35.6 mt-10 -35.21 -64.31 0.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 12.8 mm-40 -121.61 102.01 42.49 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.6 0.714 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 54.0 Cg_endo -69.75 -30.55 22.14 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 10' ' ' ALA . 60.0 m-20 60.21 43.37 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.96 -162.87 24.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.99 127.61 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 111.117 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.5 mt -90.21 121.88 40.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.2 mt -68.37 -55.39 12.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -166.34 157.53 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.447 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 83.3 m-85 -95.71 131.42 42.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.58 122.74 44.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.513 ' CG1' HG22 ' A' ' 83' ' ' VAL . 5.1 mp -103.99 139.63 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.168 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -113.87 118.59 34.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.509 ' CD2' HG11 ' A' ' 70' ' ' VAL . 48.3 p90 -128.74 128.0 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 4.2 p90 -146.75 156.46 43.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -53.24 110.59 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.42 ' HD3' ' CG2' ' A' ' 80' ' ' VAL . 49.7 tptt -49.57 -53.57 23.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.838 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.929 0.395 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.8 p -105.2 154.02 20.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.787 HD22 HG22 ' A' ' 70' ' ' VAL . 16.0 tp -130.46 126.99 38.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.405 ' CD ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -89.92 121.51 32.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.35 130.13 51.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.8 m -88.13 -26.28 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 66' ' ' THR . 1.8 t -114.41 175.38 5.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.436 ' N ' ' OG1' ' A' ' 65' ' ' THR . 58.0 p -70.95 0.93 6.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.502 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 24.3 mtp180 -117.87 140.85 49.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.58 160.2 42.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.1 m -141.6 114.05 8.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.787 HG22 HD22 ' A' ' 61' ' ' LEU . 73.0 t -85.71 117.63 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.5 m -115.05 154.91 27.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.85 36.96 4.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 48' ' ' TYR . 6.4 mt -113.64 176.29 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.934 0.397 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -102.85 143.37 26.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.701 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 160.87 48.09 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.34 42.5 18.32 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.2 m -141.98 121.2 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.759 0.314 . . . . 0.0 111.161 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.4 mtt-85 -64.47 145.35 56.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 35.6 m-85 -137.43 131.61 32.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.42 ' CG2' ' HD3' ' A' ' 51' ' ' LYS . 49.9 t -93.56 106.16 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.149 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 95.6 m-85 -89.98 152.11 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -154.44 107.98 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.513 HG22 ' CG1' ' A' ' 46' ' ' ILE . 48.8 t -93.31 137.77 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.496 ' HG2' ' CE1' ' A' ' 94' ' ' PHE . 25.6 ptt180 -143.53 152.92 42.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.447 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -98.46 136.82 38.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -120.49 133.38 55.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 33.5 p -130.01 145.47 51.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.8 t -41.72 -44.92 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.43 -56.14 10.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.63 -139.72 2.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 78.7 m -143.5 144.97 32.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.366 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.8 -174.54 32.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.6 mtt85 -86.13 169.28 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.496 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 10.3 m-85 -90.06 145.23 25.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.9 p -60.24 177.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -61.73 150.81 35.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.59 102.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.7 ttt -90.22 127.71 36.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -103.59 124.2 48.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 77.0 t -140.46 138.14 36.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -115.9 129.35 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.7 p -73.47 170.5 15.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.48 124.44 10.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.527 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.1 mttm . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.616 0.722 . . . . 0.0 110.9 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.788 0.328 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.602 ' HB1' ' O ' ' A' ' 91' ' ' CYS . . . -69.39 146.56 96.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 140.88 43.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.4 p -56.62 168.1 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -99.76 130.85 46.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.3 t -65.98 124.86 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.2 m -116.84 17.86 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.59 HG11 ' CG ' ' A' ' 32' ' ' GLN . 3.4 p -134.63 112.02 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.7 mt -141.89 136.66 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.2 mtt-85 -133.77 172.07 13.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.454 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 5.5 tt0 -118.21 116.46 26.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.14 -55.29 6.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -145.63 131.56 19.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.454 ' HB2' ' CD ' ' A' ' 19' ' ' GLN . . . -106.25 111.25 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.26 -171.15 36.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.465 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -73.62 -54.59 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.9 p -116.74 16.84 15.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 p -147.91 143.9 27.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.0 t -139.69 128.81 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.3 t -92.84 146.42 23.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 81' ' ' PHE . 89.6 mt -124.59 152.56 43.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.3 tp -139.87 111.81 7.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 40.2 p90 -129.16 143.28 50.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.59 ' CG ' HG11 ' A' ' 16' ' ' VAL . 2.7 pt20 -96.25 163.28 13.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -52.88 138.86 43.57 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.64 0.733 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 164.65 33.69 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -45.98 -68.25 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -129.02 102.0 19.32 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.648 0.737 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.4 37.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.383 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 56.09 40.48 30.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.1 179.02 15.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.48 HD12 ' H ' ' A' ' 40' ' ' ILE . 5.3 mp -77.77 125.74 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.497 ' HA ' HG22 ' A' ' 87' ' ' THR . 42.8 mt -86.16 118.23 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.0 mt -59.26 -56.16 25.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' CD ' ' HD2' ' A' ' 62' ' ' LYS . 15.3 pt-20 -157.44 158.5 35.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -100.78 128.09 46.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HG3' ' NZ ' ' A' ' 62' ' ' LYS . 30.5 tt0 -91.77 122.23 34.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.2 mt -107.89 111.19 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -100.37 119.77 38.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -136.39 125.36 24.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -134.25 164.29 27.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.39 107.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.523 ' HA ' HG23 ' A' ' 80' ' ' VAL . 33.5 tptt -45.14 -51.08 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.855 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.7 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.934 0.397 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.86 128.88 25.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 tp -115.58 129.01 56.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.958 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.437 ' HD2' ' CD ' ' A' ' 43' ' ' GLU . 14.3 mmtm -96.25 138.62 33.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.89 130.88 17.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.4 m -81.63 -33.01 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.552 HG23 ' H ' ' A' ' 67' ' ' ARG . 9.7 t -95.75 169.19 10.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.9 p -79.99 14.04 1.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.552 ' H ' HG23 ' A' ' 65' ' ' THR . 43.1 mtt85 -134.48 118.84 17.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.63 154.73 46.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.8 m -123.04 127.11 48.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.405 HG21 ' HE1' ' A' ' 81' ' ' PHE . 93.5 t -88.44 124.29 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.1 p -124.35 158.1 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.31 41.05 6.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.0 mt -111.13 177.86 4.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -109.7 144.02 29.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.563 0.697 . . . . 0.0 110.916 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 154.95 67.3 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.64 2.227 . . . . 0.0 112.356 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.9 48.94 18.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 94.5 m -146.49 117.19 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -64.78 142.65 58.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -135.61 132.19 36.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' A' ' 51' ' ' LYS . 46.2 t -92.39 104.62 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.433 ' CD1' HD11 ' A' ' 29' ' ' LEU . 95.0 m-85 -83.85 154.62 23.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -157.97 102.79 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.0 t -92.92 142.02 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.567 ' HD3' ' CZ ' ' A' ' 94' ' ' PHE . 27.6 ptt85 -145.64 156.01 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.77 142.45 34.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.7 ttt85 -134.47 139.54 45.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 41' ' ' ILE . 76.0 p -127.63 172.26 10.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -64.66 -35.41 80.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.39 -62.37 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -146.89 -158.62 7.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.602 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 21.6 p -132.04 162.07 31.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.861 0.362 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.09 -166.17 19.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -98.23 177.81 5.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.567 ' CZ ' ' HD3' ' A' ' 84' ' ' ARG . 6.5 m-85 -96.64 137.41 35.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.2 t -55.56 161.43 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -52.15 149.03 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.79 105.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.5 ttt -91.32 124.75 35.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -100.1 125.16 46.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 76.8 t -148.53 131.93 7.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -102.52 149.24 24.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 39.1 p -95.83 175.27 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.077 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -72.16 118.94 7.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.546 0.689 . . . . 0.0 110.89 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.817 0.342 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.554 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -85.84 159.19 55.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.73 . . . . 0.0 111.079 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.554 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 53.7 Cg_endo -69.71 145.58 57.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.715 2.276 . . . . 0.0 112.351 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 p -59.24 171.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -93.89 118.85 32.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.06 125.71 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -118.02 15.52 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.2 t -118.71 107.85 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.51 HD11 ' CB ' ' A' ' 95' ' ' SER . 83.9 mt -142.2 136.43 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -136.38 173.5 11.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -115.27 103.57 10.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.29 -51.43 57.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.5 mtm-85 -148.19 144.13 27.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.18 114.85 18.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.86 -162.62 26.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -80.06 -53.31 6.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.7 p -117.02 17.36 14.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.7 p -143.34 157.12 44.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.1 t -154.97 143.11 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.176 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.7 t -113.07 150.78 31.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -129.31 155.08 46.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 10.3 tp -138.71 114.71 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.512 ' CD2' HG11 ' A' ' 83' ' ' VAL . 37.3 p90 -133.18 143.01 48.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -91.46 159.12 16.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -55.54 149.73 28.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.7 Cg_endo -69.8 140.71 43.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 34' ' ' PRO . 37.2 mt-10 -37.42 -54.49 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.43 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 77.7 mt-30 -128.3 102.01 21.39 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.8 Cg_endo -69.73 -26.7 27.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.747 2.298 . . . . 0.0 112.361 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 55.16 42.75 30.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.12 -171.15 22.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 40' ' ' ILE . 4.7 mp -86.67 128.46 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.341 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.856 HD13 ' OH ' ' A' ' 44' ' ' TYR . 47.7 mt -87.83 118.05 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.9 -59.34 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -154.02 172.35 17.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.856 ' OH ' HD13 ' A' ' 41' ' ' ILE . 47.3 m-85 -120.04 114.99 22.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.486 ' CB ' ' HD3' ' A' ' 84' ' ' ARG . 0.4 OUTLIER -82.82 127.51 33.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.438 HD11 ' CH2' ' A' ' 31' ' ' TRP . 11.8 mt -115.12 126.71 72.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . 35.5 tttt -105.57 125.05 50.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.475 ' CD2' HG11 ' A' ' 70' ' ' VAL . 4.7 p90 -132.19 129.39 39.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -144.16 164.0 31.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.1 108.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.453 ' HD3' HG22 ' A' ' 80' ' ' VAL . 19.4 tptp -47.39 -54.71 10.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.857 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.967 0.413 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.8 m -131.2 148.89 52.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.3 tp -130.75 127.42 38.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -92.0 135.94 33.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -136.78 129.71 30.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.164 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.69 -26.26 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 67' ' ' ARG . 0.2 OUTLIER -107.22 171.58 7.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.43 ' N ' ' OG1' ' A' ' 65' ' ' THR . 33.7 p -74.28 5.2 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.467 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 43.3 mtt180 -128.04 136.17 50.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.78 163.24 39.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.2 m -136.83 118.24 14.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.589 HG21 ' HE1' ' A' ' 81' ' ' PHE . 39.3 t -86.12 107.35 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.6 m -107.69 157.44 18.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.68 42.2 5.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.2 mt -113.53 172.57 6.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -96.79 141.16 22.67 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.714 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.88 48.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.7 50.58 8.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.6 m -151.12 118.42 5.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 0.0 111.164 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -65.62 139.8 58.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -130.24 140.39 50.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.453 HG22 ' HD3' ' A' ' 51' ' ' LYS . 60.2 t -99.48 111.09 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.589 ' HE1' HG21 ' A' ' 70' ' ' VAL . 90.3 m-85 -96.28 150.51 20.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.532 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 61.6 mt-30 -151.09 112.93 4.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.512 HG11 ' CD2' ' A' ' 31' ' ' TRP . 44.3 t -91.65 140.1 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.601 ' HD2' ' CE1' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -140.99 153.52 45.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.582 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -108.16 143.42 36.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -133.73 130.46 38.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.9 p -121.49 170.78 9.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 t -60.11 -45.28 93.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.28 -59.3 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.5 -143.6 3.76 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.8 t -155.97 142.73 18.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -80.28 -134.97 1.39 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.467 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 73.1 mtt85 -141.86 165.53 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.601 ' CE1' ' HD2' ' A' ' 84' ' ' ARG . 4.8 m-85 -64.12 150.2 46.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.51 ' CB ' HD11 ' A' ' 17' ' ' ILE . 25.9 m -75.75 176.88 7.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -52.03 143.75 13.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.62 102.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.432 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 2.7 tpt -85.71 145.07 27.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 98' ' ' MET . 23.9 mt-10 -123.44 124.92 43.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.5 t -142.45 136.25 27.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -112.16 138.72 48.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.5 p -90.87 167.83 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -72.53 122.87 8.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.464 ' N ' ' HD3' ' A' ' 104' ' ' LYS . 1.4 mppt? . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.647 0.737 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.774 0.321 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.506 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -64.43 157.95 69.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.546 0.688 . . . . 0.0 111.097 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.506 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 53.2 Cg_endo -69.8 154.06 68.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.318 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 p -71.92 147.65 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.456 ' OE1' ' C ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -72.98 125.46 27.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.456 ' C ' ' OE1' ' A' ' 13' ' ' GLN . 57.5 t -62.64 103.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -96.18 5.97 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 p -118.01 108.18 23.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.2 mt -142.38 143.66 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -141.55 173.1 11.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -122.98 110.74 15.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.468 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 2.4 mm-40 -69.34 -56.42 7.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.0 mtm105 -148.03 143.29 27.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.98 141.32 52.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -134.86 -164.87 10.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -67.15 -61.22 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -117.39 17.86 14.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.6 p -137.05 144.63 43.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.4 t -154.49 137.01 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.1 t -107.68 147.47 30.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.7 mt -133.07 136.2 45.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 30' ' ' LEU . 5.9 mt -116.36 126.38 53.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 26.4 p90 -145.56 130.35 18.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -91.37 170.3 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -52.06 135.49 38.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.712 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 165.7 30.11 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.61 2.207 . . . . 0.0 112.372 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -41.77 -67.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -133.55 102.0 12.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.712 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.444 ' HB3' HD11 ' A' ' 41' ' ' ILE . 53.9 Cg_endo -69.76 -16.83 37.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 56.73 47.32 18.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.77 -166.96 13.86 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mp -87.5 124.53 40.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.444 HD11 ' HB3' ' A' ' 37' ' ' PRO . 44.0 mt -85.74 109.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.3 mt -46.42 -55.91 6.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.502 ' CD ' ' C ' ' A' ' 43' ' ' GLU . 0.5 OUTLIER -159.5 165.32 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -103.84 110.04 22.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -78.42 128.33 33.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.5 mt -115.41 115.5 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -107.83 115.28 29.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 59' ' ' SER . 2.0 p90 -121.55 125.15 46.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 4.2 p90 -130.7 165.43 22.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.04 116.35 4.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.579 ' HA ' HG23 ' A' ' 80' ' ' VAL . 19.2 tptm -42.82 -49.48 5.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.8 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.898 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.576 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 49.6 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.971 0.415 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.0 m -113.99 137.04 52.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.8 tp -122.57 149.31 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -116.81 126.63 53.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.92 135.0 51.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.052 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.4 m -91.06 -29.84 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.9 OUTLIER -104.05 174.74 5.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.453 ' N ' ' OG1' ' A' ' 65' ' ' THR . 16.2 p -80.29 14.51 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.466 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 53.2 mtt85 -139.96 119.8 13.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.98 157.89 44.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.0 m -129.42 115.78 18.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.4 t -80.04 111.52 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.6 m -112.37 160.33 17.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.5 39.86 9.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.406 HD21 ' CE2' ' A' ' 48' ' ' TYR . 28.5 mt -106.72 178.37 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.939 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -101.17 132.27 22.15 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.729 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 164.38 34.72 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 42.82 43.13 5.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.4 m -145.64 115.43 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 111.154 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -61.05 137.18 58.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -128.56 156.94 42.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.579 HG23 ' HA ' ' A' ' 51' ' ' LYS . 89.9 t -118.08 106.91 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 97.8 m-85 -90.06 147.31 23.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -149.13 109.04 4.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.48 139.6 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.596 ' HG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -144.14 142.22 30.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.17 121.85 41.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -108.93 121.71 45.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 88' ' ' SER . 39.2 p -107.18 145.21 32.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 87' ' ' THR . 8.1 t -34.82 -43.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.13 -64.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -152.14 -143.97 3.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.6 p -135.33 160.75 37.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.817 0.341 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.88 162.08 13.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -61.67 147.57 45.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.814 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.596 ' CZ ' ' HG2' ' A' ' 84' ' ' ARG . 9.0 m-85 -70.33 154.13 42.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.433 ' HA ' ' CD ' ' A' ' 13' ' ' GLN . 87.7 p -64.55 168.13 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -56.58 144.3 32.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.39 102.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.3 ttt -94.77 128.13 41.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -99.38 127.08 45.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 87.2 t -140.48 132.17 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -105.25 134.07 48.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 58.0 p -83.86 165.75 18.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -63.76 136.47 41.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.7 mttp . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.889 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.82 0.343 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.3 149.14 49.73 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.63 0.728 . . . . 0.0 111.063 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.533 ' HG3' HG23 ' A' ' 87' ' ' THR . 53.6 Cg_endo -69.72 170.07 17.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.266 . . . . 0.0 112.341 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -84.67 121.16 27.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -54.19 123.58 13.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.1 t -56.54 122.79 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.6 m -117.72 13.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.69 HG11 ' HG2' ' A' ' 32' ' ' GLN . 3.0 p -126.27 110.33 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.452 HD11 ' HB ' ' A' ' 83' ' ' VAL . 65.5 mt -142.02 144.25 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtp-105 -140.72 169.68 17.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.648 ' OE1' HG11 ' A' ' 100' ' ' VAL . 19.1 tt0 -117.85 105.02 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.456 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 4.5 mm-40 -64.59 -68.09 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 9.6 mtp-105 -132.89 135.69 45.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.3 103.01 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.64 -152.88 24.27 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -88.26 -51.95 5.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.6 p -117.9 17.72 14.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.3 p -147.83 141.65 25.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.6 t -143.78 135.51 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.5 t -99.38 155.54 17.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.7 mt -136.91 140.18 42.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.473 ' CD2' ' HG2' ' A' ' 67' ' ' ARG . 5.6 mt -120.47 126.04 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.542 ' CH2' HD11 ' A' ' 46' ' ' ILE . 33.2 p90 -145.35 131.39 19.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.69 ' HG2' HG11 ' A' ' 16' ' ' VAL . 8.0 pt20 -94.04 164.19 13.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -54.82 146.31 37.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 157.58 59.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.367 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -47.93 -54.8 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.412 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 23.1 mt-30 -129.74 103.58 17.45 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.584 0.707 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.9 Cg_endo -69.74 -28.05 25.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 52.6 44.28 30.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.34 -173.61 21.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mp -87.93 124.09 40.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.77 0.319 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.458 ' HA ' HG22 ' A' ' 87' ' ' THR . 18.4 mt -84.23 106.17 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.8 -60.79 2.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -158.72 159.18 34.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -96.47 114.43 26.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.79 117.42 23.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.6 HG12 HG22 ' A' ' 83' ' ' VAL . 18.0 mt -102.92 120.36 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -101.32 115.2 29.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 59' ' ' SER . 42.9 p90 -125.57 125.26 42.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.484 ' CE1' ' HB ' ' A' ' 80' ' ' VAL . 3.8 p90 -143.21 159.2 42.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -69.84 119.86 14.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -45.58 -48.84 14.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.447 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 1.4 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.93 0.395 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.9 m -131.38 146.97 52.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.5 tp -138.13 151.98 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.17 134.99 54.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.51 132.05 38.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.6 m -89.09 -28.55 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.108 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.6 OUTLIER -103.37 172.71 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.434 ' N ' ' OG1' ' A' ' 65' ' ' THR . 42.7 p -80.53 11.31 3.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.473 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 35.8 mtm180 -135.62 127.47 29.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -143.91 165.58 27.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.2 m -140.27 110.78 6.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.519 HG21 ' CE1' ' A' ' 81' ' ' PHE . 81.4 t -74.07 115.0 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.154 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 t -116.47 157.74 24.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.36 40.47 6.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.489 HD22 ' CE1' ' A' ' 79' ' ' TYR . 12.2 mt -110.48 173.97 6.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.889 0.376 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mtmm -102.4 139.88 20.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 162.7 41.03 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.362 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 42.93 44.68 5.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.6 m -143.59 119.86 10.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 111.142 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -59.05 139.67 56.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.489 ' CE1' HD22 ' A' ' 73' ' ' LEU . 11.3 m-85 -129.09 158.88 37.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.484 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 27.6 t -128.91 113.98 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.519 ' CE1' HG21 ' A' ' 70' ' ' VAL . 95.5 m-85 -101.8 149.13 24.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -152.61 105.71 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.6 HG22 HG12 ' A' ' 46' ' ' ILE . 24.7 t -92.26 142.52 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.554 ' HD3' ' CZ ' ' A' ' 94' ' ' PHE . 22.9 ptt180 -145.84 147.05 31.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.48 131.48 46.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -123.2 123.61 41.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.533 HG23 ' HG3' ' A' ' 11' ' ' PRO . 72.8 p -109.98 152.03 26.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 87' ' ' THR . 94.3 p -34.82 -42.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.72 -60.64 3.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.061 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -164.87 -173.46 33.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 28.5 p -106.97 142.17 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.87 163.56 21.45 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.48 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -55.68 176.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.554 ' CZ ' ' HD3' ' A' ' 84' ' ' ARG . 6.5 m-85 -96.94 147.16 24.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.0 p -59.34 178.06 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -63.46 137.89 58.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.49 104.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.2 ttt -102.15 121.26 41.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -102.86 129.16 49.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.648 HG11 ' OE1' ' A' ' 19' ' ' GLN . 88.3 t -138.02 131.85 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -101.14 135.76 42.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 57.3 p -83.76 169.01 15.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -69.38 131.43 24.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 104' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.554 0.692 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.779 0.323 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.02 151.48 81.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.534 0.683 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 143.31 50.47 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -57.14 164.45 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' A' ' 94' ' ' PHE . 25.7 tt0 -93.3 129.76 39.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.451 ' O ' ' CB ' ' A' ' 95' ' ' SER . 90.9 t -68.8 115.8 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.8 m -116.89 15.95 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.554 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.9 p -126.14 109.12 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.6 mt -142.07 147.22 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -143.08 173.62 11.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -119.19 111.03 17.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.469 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 2.5 mm-40 -72.8 -60.17 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -139.26 135.65 34.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.07 111.43 21.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.43 -169.45 30.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.504 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -73.74 -55.52 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.1 p -114.92 17.24 17.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.0 p -143.87 150.78 38.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.6 t -151.47 137.6 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.1 t -105.66 152.71 22.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.515 HD11 ' CD2' ' A' ' 81' ' ' PHE . 16.6 mt -137.49 138.46 39.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.469 ' HG ' ' CG ' ' A' ' 20' ' ' GLU . 5.8 mt -117.37 126.63 53.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 30.5 p90 -145.52 131.71 19.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.554 ' CG ' HG11 ' A' ' 16' ' ' VAL . 1.6 pt20 -91.06 160.51 15.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -52.36 148.37 12.16 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.667 0.746 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.55 63.11 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.238 . . . . 0.0 112.34 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.54 -48.7 14.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -136.74 102.39 9.43 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -24.34 29.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 53.19 41.67 32.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.89 160.54 10.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.644 ' H ' HD12 ' A' ' 40' ' ' ILE . 5.3 mp -62.2 128.77 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 37.0 mt -91.89 106.98 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 mt -51.55 -57.9 7.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -156.88 171.94 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -112.05 124.93 53.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -90.7 126.95 36.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 60' ' ' THR . 19.0 mt -110.52 135.26 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -124.37 116.03 21.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.522 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 7.0 p90 -125.49 139.52 53.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 10.4 p90 -153.37 173.04 16.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.458 ' HG2' ' CG2' ' A' ' 77' ' ' THR . 7.1 mt-10 -77.91 114.08 16.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.624 ' HB3' HG23 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -70.39 -26.87 63.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.884 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.001 0.429 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 46' ' ' ILE . 7.5 m -113.8 146.78 39.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.5 tp -126.99 133.2 50.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.71 127.42 45.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 68' ' ' ALA . . . -127.6 128.27 45.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.08 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 m -80.9 -34.35 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 t -98.94 173.56 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.4 p -78.61 8.65 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.44 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 73.3 mtt180 -129.88 119.53 23.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.411 ' HB2' ' CB ' ' A' ' 63' ' ' ALA . . . -139.29 154.52 47.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.1 m -130.6 108.58 10.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.504 HG13 ' CZ ' ' A' ' 48' ' ' TYR . 89.1 t -71.88 115.34 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.168 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 t -112.16 158.58 19.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.42 39.19 6.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.491 HD21 ' CD2' ' A' ' 48' ' ' TYR . 46.3 mt -107.05 174.32 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -101.49 139.05 20.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.563 0.697 . . . . 0.0 110.893 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 151.45 69.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.396 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.54 39.87 67.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.458 ' CG2' ' HG2' ' A' ' 50' ' ' GLU . 97.6 m -144.05 110.77 5.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.766 0.317 . . . . 0.0 111.111 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.2 mtt85 -57.06 148.58 21.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -137.57 132.23 32.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.624 HG23 ' HB3' ' A' ' 51' ' ' LYS . 46.8 t -94.31 102.19 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.522 ' CD2' ' HB3' ' A' ' 48' ' ' TYR . 88.7 m-85 -85.83 156.64 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -155.22 108.48 2.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.9 t -92.59 139.48 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.575 ' HD2' ' CE1' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -143.54 154.52 43.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.31 139.63 34.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -122.77 125.11 44.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.0 p -122.21 158.65 28.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 t -56.24 -44.81 79.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.807 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.82 -49.41 65.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.32 -129.49 1.12 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.0 p -149.81 168.93 22.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -114.75 -137.46 6.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -123.91 164.95 18.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.575 ' CE1' ' HD2' ' A' ' 84' ' ' ARG . 8.8 m-85 -82.32 140.31 33.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 39.7 p -57.61 178.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -65.11 138.58 58.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.67 102.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 6.8 ttt -94.46 130.13 40.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.28 123.88 47.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.1 t -141.61 138.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -110.56 150.93 28.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 73.6 p -97.64 170.13 9.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.11 117.16 10.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.468 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.0 mttm . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 110.903 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.823 0.344 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.36 140.89 97.79 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.545 0.688 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.01 36.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.313 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -70.54 141.63 51.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -75.89 119.03 19.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.8 t -56.68 119.29 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 m -114.06 16.16 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.57 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.7 p -126.44 108.2 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.41 HD12 ' HB3' ' A' ' 95' ' ' SER . 35.2 mt -140.31 123.82 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.507 ' HD2' HD23 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -137.53 170.77 15.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.721 ' OE1' HG11 ' A' ' 100' ' ' VAL . 12.9 tt0 -109.85 130.16 55.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.632 ' HG3' HD22 ' A' ' 30' ' ' LEU . 3.8 mt-10 -90.22 -41.9 11.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -157.74 129.4 6.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.87 128.81 49.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.48 178.1 19.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -71.36 -49.66 40.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.3 p -115.47 8.91 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.5 p -141.58 166.16 25.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.8 t -153.64 131.34 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.3 t -96.08 141.6 29.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.3 mt -115.52 166.33 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.632 HD22 ' HG3' ' A' ' 20' ' ' GLU . 14.0 tp -152.09 116.73 5.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.417 ' CD2' HG11 ' A' ' 83' ' ' VAL . 23.6 p90 -144.5 128.69 17.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.57 ' CG ' HG11 ' A' ' 16' ' ' VAL . 3.6 pt20 -91.12 165.11 13.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -52.08 147.61 12.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 174.83 8.93 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.743 2.295 . . . . 0.0 112.328 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -60.73 -45.35 94.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -147.73 101.97 3.69 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -19.69 36.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.267 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 56.1 42.89 27.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.58 -172.55 18.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp -81.94 129.35 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.538 HG23 ' O ' ' A' ' 86' ' ' ARG . 72.5 mt -92.67 121.71 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.51 -61.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -159.87 164.83 33.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 85' ' ' ALA . 45.7 m-85 -105.14 117.57 34.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.407 ' CD ' ' HG3' ' A' ' 62' ' ' LYS . 4.2 mm-40 -86.35 156.54 20.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.457 HG12 HG22 ' A' ' 83' ' ' VAL . 9.3 mt -135.43 126.31 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -103.19 117.37 34.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -130.23 129.68 43.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -153.07 157.77 40.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -57.38 118.76 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -62.57 -38.6 90.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.962 0.41 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.8 m -114.9 148.98 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.4 tp -127.64 130.78 49.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.407 ' HG3' ' CD ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -90.15 128.6 36.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.821 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.03 131.69 52.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.094 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.9 m -88.48 -32.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 67' ' ' ARG . 1.6 t -97.59 168.75 10.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.2 p -79.85 12.96 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.455 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 54.1 mtt180 -146.81 118.06 7.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.58 165.88 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.8 m -133.77 108.44 8.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.8 t -72.4 106.63 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.7 t -102.54 160.53 14.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.73 42.31 5.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.445 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.413 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 12.9 mt -113.9 173.98 6.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -104.42 143.39 26.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.71 . . . . 0.0 110.896 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 160.61 49.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.63 52.68 9.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 m -154.95 112.74 3.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.746 0.308 . . . . 0.0 111.17 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -56.91 139.37 51.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.413 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 21.2 m-85 -129.89 128.81 42.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.6 t -91.24 115.35 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.164 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.53 151.01 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -156.97 113.07 2.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.457 HG22 HG12 ' A' ' 46' ' ' ILE . 88.0 t -98.34 154.25 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.437 ' N ' HG12 ' A' ' 83' ' ' VAL . 16.4 ptt180 -157.26 157.47 34.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.56 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . . . -103.77 152.04 22.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.538 ' O ' HG23 ' A' ' 41' ' ' ILE . 13.9 tpt180 -136.05 137.28 40.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.2 p -124.48 166.82 15.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.7 p -63.33 -35.99 82.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.03 -55.72 17.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.98 -155.11 7.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.437 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 45.8 t -131.16 151.86 51.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.32 -128.41 4.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -142.8 169.78 16.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -84.6 134.39 34.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.41 ' HB3' HD12 ' A' ' 17' ' ' ILE . 18.4 t -61.75 172.16 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -52.18 140.5 20.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.73 116.18 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.9 ttt -102.07 145.11 29.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -113.69 125.48 54.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.721 HG11 ' OE1' ' A' ' 19' ' ' GLN . 86.1 t -140.21 131.69 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -104.0 147.17 27.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.2 p -97.75 167.13 11.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.173 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -66.73 127.48 28.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.0 mptt . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.581 0.705 . . . . 0.0 110.866 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.836 0.351 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.45 152.58 32.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.702 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.32 2.82 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.643 2.228 . . . . 0.0 112.366 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -94.36 177.02 6.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.438 ' CD ' ' O ' ' A' ' 94' ' ' PHE . 9.1 tt0 -108.01 130.13 55.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.499 HG23 ' HB3' ' A' ' 95' ' ' SER . 36.0 m -68.47 121.59 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.6 m -104.92 16.43 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.988 HG11 ' NE2' ' A' ' 32' ' ' GLN . 58.1 t -128.2 111.6 24.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.452 ' CD1' ' OG ' ' A' ' 95' ' ' SER . 13.1 mt -141.36 139.62 32.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 mtp-105 -137.46 174.94 10.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -119.65 106.54 12.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.467 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 8.0 mm-40 -70.07 -47.08 63.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.442 ' CG ' ' HB3' ' A' ' 28' ' ' SER . 11.2 ptt180 -154.76 162.35 41.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -153.5 103.5 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.82 -137.97 3.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.457 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -95.35 -51.51 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.9 p -116.91 15.94 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.4 p -144.98 150.84 37.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.8 t -150.7 132.92 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.442 ' HB3' ' CG ' ' A' ' 21' ' ' ARG . 13.4 t -91.83 150.61 20.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.568 HD11 ' CD1' ' A' ' 81' ' ' PHE . 84.4 mt -130.91 154.5 48.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 30' ' ' LEU . 3.0 mt -139.11 114.86 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CG ' HG11 ' A' ' 83' ' ' VAL . 42.8 p90 -127.21 164.99 20.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.988 ' NE2' HG11 ' A' ' 16' ' ' VAL . 71.0 mt-30 -110.19 174.7 5.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.34 148.0 88.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.653 0.739 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' GLU . 54.2 Cg_endo -69.71 137.66 36.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' PRO . 23.4 mt-10 -34.31 -60.22 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -131.18 102.0 16.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.729 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -25.35 28.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.359 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 56.55 42.5 27.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.06 -172.01 23.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.83 134.42 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.495 ' HA ' HG22 ' A' ' 87' ' ' THR . 70.9 mt -94.25 126.63 46.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.79 -50.56 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -167.32 161.84 14.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -99.78 132.78 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -101.34 120.05 39.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.5 mt -101.8 119.63 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -101.38 119.85 39.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.567 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 22.4 p90 -133.09 127.2 33.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -141.03 165.16 28.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.18 108.8 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.54 ' HA ' HG23 ' A' ' 80' ' ' VAL . 18.1 tptp -47.57 -54.59 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.863 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.944 0.402 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.0 m -118.2 146.55 44.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.1 tp -114.81 158.61 21.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -117.73 128.05 54.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.98 131.33 37.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.046 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.7 m -82.05 -24.08 9.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 67' ' ' ARG . 5.4 t -116.16 166.81 11.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.507 ' HA ' ' CE2' ' A' ' 31' ' ' TRP . 76.4 p -66.92 -2.9 5.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 65' ' ' THR . 47.8 mtt85 -115.39 127.75 55.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.52 157.46 43.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.2 m -127.43 106.97 9.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.413 HG13 ' CE2' ' A' ' 48' ' ' TYR . 87.6 t -73.06 120.47 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.0 t -122.04 159.2 27.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.52 37.91 7.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.3 mt -107.11 175.57 5.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.876 0.369 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -102.57 140.19 20.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.549 0.69 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 158.72 55.9 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.323 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.37 42.24 13.02 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.536 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 93.4 m -144.41 121.72 11.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 111.184 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 -66.96 142.76 57.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -134.87 130.86 36.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.54 HG23 ' HA ' ' A' ' 51' ' ' LYS . 40.1 t -89.7 107.01 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CD1' HD11 ' A' ' 29' ' ' LEU . 93.9 m-85 -88.3 147.49 24.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 95' ' ' SER . 15.0 mm100 -150.66 113.81 4.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.579 HG11 ' CG ' ' A' ' 31' ' ' TRP . 63.7 t -93.42 139.6 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.441 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -139.42 154.93 47.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.16 117.86 35.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -101.99 123.61 46.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.495 HG22 ' HA ' ' A' ' 41' ' ' ILE . 25.4 p -120.67 144.2 48.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 87' ' ' THR . 30.0 t -34.21 -49.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.55 -61.38 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.89 -156.07 8.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.546 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 72.9 m -117.08 157.24 26.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.833 0.349 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -111.26 177.48 19.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -73.23 162.59 29.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 84' ' ' ARG . 5.8 m-85 -84.67 144.18 28.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.499 ' HB3' HG23 ' A' ' 14' ' ' VAL . 96.6 p -58.08 174.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -55.73 135.2 51.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.03 102.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.446 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 0.9 OUTLIER -85.03 145.11 27.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 98' ' ' MET . 43.5 mt-10 -124.85 124.06 41.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 86.5 t -147.36 148.81 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -117.34 134.75 54.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.5 p -78.08 170.36 16.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.14 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.04 118.05 4.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.559 0.695 . . . . 0.0 110.927 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.784 0.326 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 143.06 97.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 157.27 60.97 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.319 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 t -67.63 131.15 45.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.441 ' CD ' ' O ' ' A' ' 94' ' ' PHE . 8.2 tt0 -64.06 126.25 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 95' ' ' SER . 89.8 t -60.75 112.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.36 17.92 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.453 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.7 p -129.74 105.19 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.1 mt -142.31 135.7 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -132.57 174.81 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -119.3 109.57 15.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.463 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 5.5 mm-40 -70.37 -55.54 8.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 21' ' ' ARG . 40.1 mtm105 -148.88 144.83 27.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.05 120.81 31.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.55 -165.15 16.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.4 -62.49 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 p -117.97 17.88 14.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.411 ' C ' HG23 ' A' ' 27' ' ' VAL . 46.6 p -129.6 152.55 49.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.411 HG23 ' C ' ' A' ' 26' ' ' SER . 97.7 t -157.53 143.6 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -118.17 139.78 50.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.496 HD11 ' CD1' ' A' ' 81' ' ' PHE . 44.2 mt -125.5 133.47 52.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' A' ' 30' ' ' LEU . 6.1 mt -113.38 126.93 55.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 24.5 p90 -145.64 131.42 19.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' CG ' HG11 ' A' ' 16' ' ' VAL . 7.6 pt20 -91.37 160.42 15.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.08 139.42 34.24 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.671 0.748 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.1 Cg_endo -69.82 149.81 67.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 34' ' ' PRO . 24.2 mt-10 -37.19 -64.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -125.09 102.28 31.15 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.739 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -12.54 33.06 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.738 2.292 . . . . 0.0 112.335 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 55.1 43.81 28.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.71 -178.68 16.43 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.518 ' H ' HD12 ' A' ' 40' ' ' ILE . 5.4 mp -74.74 126.24 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 111.152 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.4 mt -86.92 120.29 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.11 -63.35 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -154.14 159.92 41.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -99.58 128.59 45.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 84' ' ' ARG . 0.7 OUTLIER -94.72 134.26 37.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.436 HG12 HG22 ' A' ' 83' ' ' VAL . 11.5 mt -122.94 107.98 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -99.99 123.33 44.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.553 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 18.8 p90 -131.61 141.56 49.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -153.39 156.64 38.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.498 ' HG2' HG21 ' A' ' 77' ' ' THR . 4.3 mt-10 -53.29 109.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -49.61 -52.14 32.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.888 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.525 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 44.0 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.933 0.397 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.467 ' CG2' ' HG3' ' A' ' 45' ' ' GLU . 22.3 m -106.87 153.22 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 tp -139.46 129.28 24.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.94 132.87 40.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.39 129.6 37.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.7 m -84.72 -36.05 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 t -93.07 170.04 9.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.5 p -80.92 16.23 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.478 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 54.8 mtt180 -138.74 119.24 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.18 155.08 47.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.2 m -131.88 102.91 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.661 HG21 ' HE1' ' A' ' 81' ' ' PHE . 58.3 t -71.23 118.02 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.6 m -121.24 151.51 39.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.9 39.11 4.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.1 mt -106.66 177.9 4.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -98.02 134.74 21.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.884 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 153.95 68.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.748 2.299 . . . . 0.0 112.338 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.29 46.23 51.98 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.455 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.498 HG21 ' HG2' ' A' ' 50' ' ' GLU . 85.3 m -150.58 114.46 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.708 0.289 . . . . 0.0 111.184 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.441 ' NH1' ' OE1' ' A' ' 99' ' ' GLU . 31.7 mtt180 -58.01 145.99 34.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -134.46 147.07 50.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.4 t -107.49 107.99 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.661 ' HE1' HG21 ' A' ' 70' ' ' VAL . 84.5 m-85 -92.76 153.07 19.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -154.43 112.72 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.436 HG22 HG12 ' A' ' 46' ' ' ILE . 51.1 t -100.52 146.61 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.621 ' HG2' ' CE1' ' A' ' 94' ' ' PHE . 6.0 ppt_? -153.83 154.67 34.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -105.96 139.22 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.426 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 6.1 ttt85 -117.95 115.81 25.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 88' ' ' SER . 37.8 p -109.07 136.93 47.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 87' ' ' THR . 48.6 p -34.6 -42.88 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.74 -60.81 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -156.51 -154.65 7.1 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.498 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 13.9 m -131.11 142.64 50.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.368 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -104.68 153.45 17.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -54.53 176.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.621 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 9.7 m-85 -92.67 139.97 30.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 55.6 p -51.95 168.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -52.08 145.12 10.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.44 105.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 1.9 tpt -86.39 145.17 26.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 98' ' ' MET . 31.1 mt-10 -122.55 125.49 45.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.6 t -141.44 132.95 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -106.89 133.87 50.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.9 p -82.2 174.32 11.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -86.82 129.97 9.74 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.4 mttt . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.565 0.697 . . . . 0.0 110.873 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.817 0.341 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.04 148.42 67.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.572 0.701 . . . . 0.0 111.062 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 168.87 20.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.226 . . . . 0.0 112.367 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -70.6 177.65 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -109.71 117.64 34.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.14 113.34 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -110.7 17.0 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.1 t -120.64 105.16 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 68.3 mt -141.02 132.99 29.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' LEU . 11.4 mtp180 -141.27 151.85 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.52 119.2 38.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -76.15 -54.85 6.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -149.72 137.22 19.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.96 102.07 11.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.88 -171.84 43.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -69.48 -56.51 7.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.3 p -117.8 16.09 14.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.2 p -145.25 150.12 36.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.0 t -142.87 145.98 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.9 t -103.44 156.01 18.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.4 HD11 ' CD2' ' A' ' 81' ' ' PHE . 44.1 mt -135.54 153.55 51.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' ARG . 4.8 mt -137.44 120.44 16.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.658 ' CH2' HD11 ' A' ' 46' ' ' ILE . 17.3 p90 -145.3 140.93 28.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -92.44 173.77 7.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.91 148.26 98.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.75 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' GLU . 54.3 Cg_endo -69.68 142.0 47.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.277 . . . . 0.0 112.399 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' PRO . 31.5 mt-10 -36.32 -65.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -128.4 102.46 20.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -21.63 32.95 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 57.16 40.68 28.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.51 -147.78 19.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.549 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.494 ' O ' HG22 ' A' ' 87' ' ' THR . 16.6 mm -111.58 143.12 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mt -107.09 118.91 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.86 -50.15 63.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -162.7 155.08 18.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.545 ' CE1' ' HB2' ' A' ' 85' ' ' ALA . 49.1 m-85 -96.31 111.53 23.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.19 131.51 38.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.702 HG12 HG22 ' A' ' 83' ' ' VAL . 23.6 mt -117.08 124.75 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -101.36 118.25 36.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -127.91 122.27 32.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.541 ' CZ ' ' HB ' ' A' ' 80' ' ' VAL . 31.9 p90 -137.2 158.25 44.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.555 ' HG3' ' CE1' ' A' ' 79' ' ' TYR . 3.8 mt-10 -71.3 104.89 3.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 50' ' ' GLU . 35.7 tptt -32.97 -43.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.879 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.0 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.939 0.399 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.8 m -121.65 146.27 47.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.453 ' HG ' ' N ' ' A' ' 62' ' ' LYS . 6.3 tp -136.56 150.31 48.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.453 ' N ' ' HG ' ' A' ' 61' ' ' LEU . 7.8 mptt -110.1 133.24 53.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.51 133.83 46.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -92.05 -32.59 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -100.36 172.2 7.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.434 ' N ' ' OG1' ' A' ' 65' ' ' THR . 32.5 p -80.36 13.54 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -142.96 118.17 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.49 158.39 43.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.5 m -129.0 104.53 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.23 120.62 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.5 p -113.99 159.24 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.53 44.37 5.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.475 HD22 ' CE1' ' A' ' 79' ' ' TYR . 16.6 mt -113.02 173.6 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' HE3' ' CD ' ' A' ' 50' ' ' GLU . 9.2 mtmm -108.42 142.82 26.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 161.51 45.63 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.51 53.3 7.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.468 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.474 HG21 ' HG2' ' A' ' 50' ' ' GLU . 89.4 m -155.12 120.31 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.75 0.309 . . . . 0.0 111.137 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.5 mtt-85 -60.07 142.88 53.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 50' ' ' GLU . 15.6 m-85 -134.24 141.14 46.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.541 ' HB ' ' CZ ' ' A' ' 49' ' ' TYR . 17.4 t -111.13 114.65 47.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.4 ' CD2' HD11 ' A' ' 29' ' ' LEU . 49.0 m-85 -99.36 151.47 21.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -152.58 105.97 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.702 HG22 HG12 ' A' ' 46' ' ' ILE . 40.1 t -89.42 149.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -156.23 154.98 31.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.545 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . . . -99.32 142.41 30.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -126.49 136.0 52.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 40' ' ' ILE . 81.4 p -128.08 151.2 49.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.7 p -43.01 -36.83 1.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.79 -63.31 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -156.56 -161.93 11.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.35 142.22 50.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.43 162.51 28.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -65.16 148.56 51.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -67.23 170.86 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -94.8 175.81 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -53.76 139.04 34.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.36 104.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.477 ' O ' HG13 ' A' ' 80' ' ' VAL . 4.5 ttp -83.11 156.37 23.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -124.48 123.95 41.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.2 t -145.9 131.85 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -104.63 146.9 28.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.2 p -91.75 178.0 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.37 118.18 5.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 110.876 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.886 ' HB3' ' OD1' ' A' ' 38' ' ' ASN . . . . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.783 0.325 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -52.13 160.51 1.2 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.534 0.683 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 53.5 Cg_endo -69.73 -164.86 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.5 t -107.3 170.92 7.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -103.94 112.51 25.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -53.51 127.15 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.3 m -115.84 17.55 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 31' ' ' TRP . 87.1 t -128.2 109.04 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.9 mt -141.28 140.77 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 30' ' ' LEU . 55.3 mtt180 -139.4 171.46 14.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -118.82 104.92 11.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.466 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 6.7 mm-40 -68.31 -46.25 70.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.437 ' CG ' ' HB3' ' A' ' 28' ' ' SER . 11.0 ptt85 -152.14 148.78 28.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.84 118.43 19.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.27 -156.54 11.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -74.24 -66.61 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 p -111.04 17.35 20.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 p -136.86 147.01 46.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.3 t -152.61 128.14 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.437 ' HB3' ' CG ' ' A' ' 21' ' ' ARG . 37.4 t -98.36 137.35 37.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 30' ' ' LEU . 82.5 mt -121.24 160.5 23.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.55 ' CD2' ' HG3' ' A' ' 67' ' ' ARG . 4.6 mt -141.83 122.55 14.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.403 ' HB2' ' O ' ' A' ' 16' ' ' VAL . 37.9 p90 -139.65 140.03 36.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -90.94 166.65 12.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -52.72 144.94 23.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.657 0.742 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.429 ' HG3' ' CD1' ' A' ' 41' ' ' ILE . 53.8 Cg_endo -69.75 -164.72 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -132.88 116.22 16.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.55 ' N ' ' CD ' ' A' ' 37' ' ' PRO . 15.5 mt-30 67.98 48.03 0.41 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 53.6 Cg_endo -69.8 5.43 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.886 ' OD1' ' HB3' ' A' ' 9' ' ' ALA . 3.2 m-80 57.85 36.1 26.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.39 -179.91 16.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 40' ' ' ILE . 5.2 mp -71.87 149.84 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.429 ' CD1' ' HG3' ' A' ' 34' ' ' PRO . 16.2 mt -106.84 120.02 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.5 mt -56.68 -61.16 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' CD ' ' HD2' ' A' ' 62' ' ' LYS . 12.9 pt-20 -147.23 174.54 11.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -119.04 143.01 47.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -105.64 140.37 38.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.9 mt -123.02 117.28 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -108.87 121.48 45.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.447 ' CD2' HD21 ' A' ' 73' ' ' LEU . 2.2 p90 -127.46 130.07 48.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 4.0 p90 -137.74 165.72 25.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.15 112.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.442 ' HA ' HG23 ' A' ' 80' ' ' VAL . 19.6 tptp -49.82 -52.95 28.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.3 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.893 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 48' ' ' TYR . 58.6 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.943 0.402 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.9 p -104.21 127.16 51.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.167 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.0 tp -111.54 126.85 55.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.417 ' HD2' ' CD ' ' A' ' 43' ' ' GLU . 25.1 mmtp -94.29 124.86 38.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -131.13 128.2 39.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.4 m -77.82 -35.66 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.437 ' C ' ' H ' ' A' ' 67' ' ' ARG . 5.1 t -99.07 157.4 16.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.2 p -61.25 -2.14 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.55 ' HG3' ' CD2' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -111.0 128.13 55.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.02 151.33 33.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 93.0 m -129.22 120.76 26.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.429 HG13 ' CZ ' ' A' ' 48' ' ' TYR . 97.7 t -82.94 113.68 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.6 p -112.56 161.73 16.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.19 39.83 8.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.443 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.447 HD21 ' CD2' ' A' ' 48' ' ' TYR . 23.8 mt -107.96 169.15 8.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.362 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -92.33 135.04 27.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 145.23 56.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.338 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.37 49.97 68.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.0 m -151.64 112.66 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 111.148 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -54.28 137.19 41.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -129.09 151.84 49.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.442 HG23 ' HA ' ' A' ' 51' ' ' LYS . 61.8 t -113.15 105.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.404 ' CE1' HG21 ' A' ' 70' ' ' VAL . 97.8 m-85 -88.01 148.3 24.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -148.4 106.22 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.4 t -93.23 144.59 9.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.407 ' NH1' ' O ' ' A' ' 85' ' ' ALA . 15.3 ptt85 -151.8 156.95 41.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.407 ' O ' ' NH1' ' A' ' 84' ' ' ARG . . . -98.44 148.04 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -129.73 113.37 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 38.2 p -103.54 163.68 12.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.8 p -51.87 -44.72 63.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.3 -59.73 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.32 -134.96 1.78 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 74.1 m -135.11 148.04 49.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.34 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.8 -146.76 21.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -107.94 157.67 18.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.94 142.52 40.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.0 p -60.93 175.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -59.06 138.16 57.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.87 113.45 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.1 ttt -101.37 146.11 28.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -116.01 124.67 51.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 94.5 t -139.13 140.13 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -110.6 131.41 55.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.2 p -79.07 177.78 8.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.99 123.09 6.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.529 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.4 mttt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.827 -179.946 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.797 0.332 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -76.03 155.78 84.41 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.552 0.692 . . . . 0.0 111.072 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.517 ' HG3' HG23 ' A' ' 87' ' ' THR . 54.0 Cg_endo -69.77 161.13 47.11 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.694 2.262 . . . . 0.0 112.378 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -69.67 174.45 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.401 ' OE1' ' HB3' ' A' ' 93' ' ' ARG . 10.2 tt0 -105.31 116.11 31.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 95' ' ' SER . 87.5 t -52.79 120.33 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.5 m -117.89 17.81 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.614 HG11 ' CG ' ' A' ' 32' ' ' GLN . 3.0 p -128.22 113.68 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.574 HG21 ' SD ' ' A' ' 98' ' ' MET . 65.5 mt -142.21 147.65 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -143.8 163.32 33.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -111.85 114.57 27.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 6.3 mm-40 -78.96 -62.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -153.65 118.93 5.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.423 ' HA ' HG23 ' A' ' 27' ' ' VAL . . . -96.81 102.04 13.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 26' ' ' SER . . . -71.54 177.07 37.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.443 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -60.23 -54.88 40.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.891 0.377 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.7 p -111.83 14.83 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' GLY . 39.2 p -153.41 174.21 14.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.676 HG13 ' HB ' ' A' ' 70' ' ' VAL . 2.5 p -163.96 157.85 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.5 ' N ' HG22 ' A' ' 27' ' ' VAL . 37.4 t -120.38 136.62 54.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.9 mt -115.56 165.66 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 67' ' ' ARG . 5.8 mt -142.32 122.99 14.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -145.72 133.53 21.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.614 ' CG ' HG11 ' A' ' 16' ' ' VAL . 2.7 pt20 -91.69 160.73 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -52.04 148.75 10.43 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 157.87 58.97 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.718 2.278 . . . . 0.0 112.33 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -46.11 -51.2 14.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -140.49 102.02 6.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -19.4 36.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.746 2.297 . . . . 0.0 112.348 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 52.08 42.54 30.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.22 -163.07 25.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.441 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.467 HD12 ' N ' ' A' ' 40' ' ' ILE . 4.7 mp -98.21 130.67 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 111.093 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.519 ' HA ' HG22 ' A' ' 87' ' ' THR . 19.1 mt -92.01 121.41 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.75 -52.77 58.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -167.2 158.27 11.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.441 ' OH ' HD13 ' A' ' 41' ' ' ILE . 37.0 m-85 -98.43 117.4 32.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -84.35 132.59 34.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.2 mt -120.54 111.15 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -99.83 119.09 37.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.575 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 30.9 p90 -128.9 124.86 36.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 6.5 p90 -132.48 156.68 46.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.558 ' HG3' ' CE1' ' A' ' 79' ' ' TYR . 4.5 mt-10 -53.59 105.48 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HD3' HG22 ' A' ' 80' ' ' VAL . 22.1 tptp -46.64 -50.36 17.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 179.914 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.947 0.403 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.3 p -108.98 158.45 17.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.5 tp -130.85 126.85 37.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.43 120.48 32.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.53 128.39 46.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.5 m -82.74 -32.55 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.541 HG23 ' H ' ' A' ' 67' ' ' ARG . 9.7 t -98.44 169.78 9.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.9 p -76.94 5.54 7.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.541 ' H ' HG23 ' A' ' 65' ' ' THR . 61.0 mtt85 -131.97 119.46 21.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.95 154.26 49.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.2 m -116.62 105.89 12.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.836 HG21 ' CE1' ' A' ' 81' ' ' PHE . 53.6 t -67.7 114.45 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 t -119.5 153.02 35.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.71 55.02 2.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.69 HD11 HG12 ' A' ' 70' ' ' VAL . 7.7 mt -126.47 176.71 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 110.913 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -103.99 140.85 21.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.607 0.718 . . . . 0.0 110.834 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 137.3 35.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.396 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.401 ' CA ' ' HG2' ' A' ' 104' ' ' LYS . . . 61.88 50.19 68.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.499 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.8 m -148.96 113.27 5.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.35 . . . . 0.0 111.109 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -55.97 145.36 25.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CE1' ' HG3' ' A' ' 50' ' ' GLU . 24.9 m-85 -140.1 131.45 26.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.426 HG22 ' HD3' ' A' ' 51' ' ' LYS . 60.7 t -89.64 112.67 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.836 ' CE1' HG21 ' A' ' 70' ' ' VAL . 71.6 m-85 -96.72 145.09 26.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 96' ' ' GLN . 12.7 mm100 -147.43 111.98 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.95 151.18 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.452 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -145.95 171.97 14.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.05 120.33 23.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.7 ttp85 -117.22 131.93 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.519 HG22 ' HA ' ' A' ' 41' ' ' ILE . 60.9 p -121.07 163.24 18.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.3 p -54.19 -41.25 68.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.92 -60.18 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.53 -165.81 13.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.401 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 2.0 t -122.82 160.37 26.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -107.13 -157.02 20.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.478 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.401 ' HB3' ' OE1' ' A' ' 13' ' ' GLN . 26.4 mtp180 -113.18 177.67 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 84' ' ' ARG . 4.3 m-85 -92.9 134.3 35.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 10.4 t -59.35 174.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.406 ' O ' ' OE1' ' A' ' 82' ' ' GLN . 24.4 mt-30 -54.93 139.23 41.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.03 102.93 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.574 ' SD ' HG21 ' A' ' 17' ' ' ILE . 12.6 ttt -86.91 142.02 28.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.414 ' OE2' ' CE ' ' A' ' 51' ' ' LYS . 85.6 mt-10 -120.35 123.42 43.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 75.9 t -141.23 131.98 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -104.73 118.73 37.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.5 p -52.06 179.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.91 110.87 3.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.401 ' HG2' ' CA ' ' A' ' 76' ' ' GLY . 28.3 mtmt . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.807 0.337 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.01 152.19 51.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 157.93 58.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.253 . . . . 0.0 112.295 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t -66.49 135.54 54.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.437 ' CD ' ' O ' ' A' ' 94' ' ' PHE . 12.4 tt0 -67.08 113.96 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.3 t -53.72 121.35 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 m -116.06 17.92 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.506 HG11 ' HG2' ' A' ' 32' ' ' GLN . 2.8 p -128.47 111.82 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.3 mt -142.11 137.6 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -132.61 153.61 50.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -101.39 108.94 20.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 3.5 mm-40 -67.17 -61.75 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 23.1 mtm180 -156.85 138.44 14.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.78 106.08 16.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.84 176.0 22.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -56.6 132.72 52.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 72' ' ' GLY . 12.2 p 39.73 31.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.435 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -155.16 158.22 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.805 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.436 HG11 ' CE2' ' A' ' 81' ' ' PHE . 72.7 t -157.66 131.37 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 t -100.72 132.3 46.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.1 mt -115.93 156.53 26.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.415 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 7.2 tp -141.35 111.01 6.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.465 ' CH2' HD11 ' A' ' 46' ' ' ILE . 40.0 p90 -132.05 135.74 46.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.506 ' HG2' HG11 ' A' ' 16' ' ' VAL . 7.4 pt20 -91.25 160.14 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -52.51 143.94 25.86 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.7 0.762 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -178.2 2.22 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -73.6 -66.67 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.415 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 27.2 mp0 -111.8 102.02 52.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.6 Cg_endo -69.75 -23.77 30.46 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 52.59 46.09 27.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.53 -169.99 16.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mp -86.95 127.22 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.5 mt -89.44 102.38 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.1 mt -53.6 -57.77 9.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -156.84 173.2 17.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -108.1 156.44 19.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.499 ' HG2' ' CG2' ' A' ' 60' ' ' THR . 4.0 tt0 -120.31 129.52 54.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.59 HG12 HG22 ' A' ' 83' ' ' VAL . 17.2 mt -117.45 120.17 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.474 ' HZ3' ' HE2' ' A' ' 49' ' ' TYR . 27.0 tttm -104.43 123.3 47.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.451 ' CE1' ' HB2' ' A' ' 59' ' ' SER . 45.5 p90 -131.52 135.94 47.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.474 ' HE2' ' HZ3' ' A' ' 47' ' ' LYS . 6.9 p90 -153.36 155.58 36.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -52.63 109.93 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -50.96 -51.74 49.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.968 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.824 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.451 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 33.1 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.933 0.396 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.499 ' CG2' ' HG2' ' A' ' 45' ' ' GLU . 4.5 m -117.31 147.51 42.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.545 HD22 HG22 ' A' ' 70' ' ' VAL . 21.1 tp -129.01 126.64 39.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -90.6 146.02 24.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.99 131.42 19.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.0 m -83.45 -37.04 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.595 HG23 ' H ' ' A' ' 67' ' ' ARG . 9.1 t -95.73 172.18 8.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.2 p -80.0 13.89 2.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.595 ' H ' HG23 ' A' ' 65' ' ' THR . 22.5 mtp180 -135.91 130.33 33.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.47 160.95 43.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.1 m -136.51 102.3 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.545 HG22 HD22 ' A' ' 61' ' ' LEU . 88.8 t -68.71 102.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.1 m -102.21 161.65 13.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' THR . . . 84.91 47.91 5.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' THR . 15.6 mt -117.96 176.24 5.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -83.74 129.95 57.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 110.917 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 145.33 56.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.24 . . . . 0.0 112.34 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.56 44.42 85.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 96.7 m -145.25 120.95 10.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.8 0.333 . . . . 0.0 111.133 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.9 mtt85 -58.07 140.48 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -131.73 141.42 49.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -102.36 109.04 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.436 ' CE2' HG11 ' A' ' 27' ' ' VAL . 93.5 m-85 -92.64 156.83 16.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -157.78 104.4 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.59 HG22 HG12 ' A' ' 46' ' ' ILE . 87.3 t -90.08 152.16 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.579 ' CZ ' ' CZ ' ' A' ' 94' ' ' PHE . 10.5 ptt180 -159.05 155.4 27.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.81 139.07 37.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -125.78 116.85 22.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 88' ' ' SER . 77.4 p -104.84 147.65 27.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 87' ' ' THR . 13.5 m -36.52 -42.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.22 -60.57 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -163.92 -137.02 2.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.8 t -143.47 128.62 18.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.35 -143.5 2.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -109.83 169.27 8.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.579 ' CZ ' ' CZ ' ' A' ' 84' ' ' ARG . 9.3 m-85 -85.54 163.69 18.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.7 t -81.54 171.81 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -54.08 143.04 23.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.06 102.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 0.3 OUTLIER -85.54 146.21 27.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.479 ' N ' ' HG3' ' A' ' 98' ' ' MET . 37.8 mt-10 -123.17 123.46 40.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 71.1 t -151.15 139.7 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -104.6 148.1 26.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 81.8 p -83.68 177.6 8.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.86 116.62 4.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.512 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.908 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.856 0.36 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.625 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -64.58 162.11 37.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.625 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 54.0 Cg_endo -69.77 169.15 19.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.8 t -80.47 165.35 22.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -90.79 112.61 24.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.1 t -54.13 123.59 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 m -117.59 17.68 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.675 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.6 p -127.83 106.32 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.409 HD11 ' OG ' ' A' ' 95' ' ' SER . 40.6 mt -142.32 134.23 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -138.46 170.97 15.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.468 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 3.4 tt0 -120.31 110.73 16.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.828 ' OE2' HD11 ' A' ' 30' ' ' LEU . 34.5 mt-10 -70.81 -53.47 15.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.7 mtt85 -148.06 130.94 16.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.468 ' HB2' ' CD ' ' A' ' 19' ' ' GLN . . . -115.47 102.92 10.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.84 -161.21 31.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -83.69 -47.26 11.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.7 p -117.12 17.57 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.0 p -151.1 159.23 44.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.5 t -156.31 136.19 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.7 t -103.18 145.8 29.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 81' ' ' PHE . 96.9 mt -130.7 141.64 50.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.828 HD11 ' OE2' ' A' ' 20' ' ' GLU . 6.1 mt -122.43 123.74 42.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -145.43 135.16 23.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.675 ' CG ' HG11 ' A' ' 16' ' ' VAL . 5.6 pt20 -92.78 162.68 14.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -56.15 145.21 56.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.626 0.727 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 153.21 69.06 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.258 . . . . 0.0 112.298 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -41.56 -62.53 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.414 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 21.3 mt-30 -127.81 102.0 22.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 54.0 Cg_endo -69.8 -18.84 36.58 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 53.31 46.14 27.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.15 165.09 11.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -69.49 114.23 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.525 ' HA ' HG22 ' A' ' 87' ' ' THR . 86.3 mt -72.84 121.98 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 88' ' ' SER . 27.6 mt -66.21 -57.64 7.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -165.2 163.42 20.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.654 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 64.5 m-85 -103.15 134.45 46.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -107.96 129.3 55.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.595 HD12 HD23 ' A' ' 61' ' ' LEU . 10.4 mt -109.7 123.98 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.58 ' HD3' ' CZ ' ' A' ' 94' ' ' PHE . 41.0 tttt -109.06 117.47 34.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 59' ' ' SER . 25.4 p90 -126.31 119.64 27.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -128.16 164.83 21.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 51' ' ' LYS . 6.1 mt-10 -60.98 103.67 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.529 ' HA ' HG23 ' A' ' 80' ' ' VAL . 20.3 tptm -35.27 -50.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.564 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 17.6 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.952 0.406 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.3 m -115.63 149.63 38.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.595 HD23 HD12 ' A' ' 46' ' ' ILE . 15.7 tp -130.59 145.43 51.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -114.51 125.75 54.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.85 128.63 41.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.8 m -84.89 -32.4 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -96.29 172.5 7.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.448 ' N ' ' OG1' ' A' ' 65' ' ' THR . 22.3 p -77.1 8.07 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.174 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -129.31 127.03 40.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.67 158.94 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.8 m -136.71 101.98 4.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.44 HG22 HD22 ' A' ' 61' ' ' LEU . 71.6 t -68.64 115.79 7.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.2 p -114.18 162.04 17.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.3 40.8 8.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.475 HD21 ' CD2' ' A' ' 48' ' ' TYR . 47.5 mt -104.42 169.04 8.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -96.29 135.95 22.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 110.908 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 160.35 50.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.254 . . . . 0.0 112.374 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.62 41.47 9.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.8 m -144.59 119.12 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 111.156 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.412 ' HB3' ' CB ' ' A' ' 51' ' ' LYS . 30.9 mtt180 -63.6 140.96 58.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -132.38 141.32 48.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.529 HG23 ' HA ' ' A' ' 51' ' ' LYS . 40.5 t -105.15 107.32 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.447 ' CD1' HD11 ' A' ' 29' ' ' LEU . 96.8 m-85 -85.55 152.14 23.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.578 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 85.8 mt-30 -156.83 105.77 2.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.593 HG22 HG12 ' A' ' 46' ' ' ILE . 41.8 t -89.57 144.18 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.576 ' HD3' ' CE1' ' A' ' 94' ' ' PHE . 7.8 ptt85 -142.78 139.94 31.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.654 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -99.66 125.77 45.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -112.77 146.81 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.525 HG22 ' HA ' ' A' ' 41' ' ' ILE . 36.5 p -128.25 163.83 23.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.449 ' HA ' HD11 ' A' ' 42' ' ' LEU . 47.8 t -48.83 -43.01 38.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.89 -61.2 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.99 -166.14 20.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 29.3 p -126.25 148.35 49.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.05 -179.6 26.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.541 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -68.73 165.37 19.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CZ ' ' HD3' ' A' ' 47' ' ' LYS . 11.6 m-85 -58.32 172.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.409 ' OG ' HD11 ' A' ' 17' ' ' ILE . 77.8 p -81.36 -70.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -161.29 164.54 30.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.27 102.13 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.8 ttt -106.29 130.33 54.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -102.16 124.49 47.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 99.5 t -136.3 134.22 49.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -107.21 122.02 45.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.3 p -72.83 160.56 31.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.175 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.76 132.91 52.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.543 0.687 . . . . 0.0 110.904 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.839 0.352 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.676 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -83.8 163.34 49.38 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 111.094 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.676 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 53.6 Cg_endo -69.77 171.89 13.64 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.643 2.229 . . . . 0.0 112.324 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 t -93.75 127.79 39.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.13 125.54 23.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.446 ' O ' ' CB ' ' A' ' 95' ' ' SER . 83.9 t -66.69 123.88 20.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.2 m -116.67 18.0 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.472 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.5 p -126.27 104.55 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.427 ' C ' ' HG3' ' A' ' 18' ' ' ARG . 83.2 mt -142.89 141.84 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.427 ' HG3' ' C ' ' A' ' 17' ' ' ILE . 6.5 mtp85 -141.27 171.72 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.737 ' HG3' ' HB2' ' A' ' 22' ' ' ALA . 4.3 tt0 -105.37 130.01 53.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.473 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 1.6 mm-40 -97.99 -70.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 74.0 mtt180 -97.62 -66.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.737 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . . . 67.98 42.32 1.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' ALA . . . -53.98 -167.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 103' ' ' GLY . 1.6 tt0 -74.87 -60.29 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.6 p -101.12 13.37 35.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.4 p -147.22 153.88 40.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.459 ' CG2' HG22 ' A' ' 102' ' ' THR . 98.9 t -151.65 139.45 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.0 t -115.08 137.27 52.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 81' ' ' PHE . 93.4 mt -116.86 143.04 46.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.524 ' CD2' ' HG3' ' A' ' 67' ' ' ARG . 3.6 mt -120.22 120.88 37.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -140.42 134.13 30.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.472 ' CG ' HG11 ' A' ' 16' ' ' VAL . 6.8 pt20 -91.35 167.42 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -52.12 137.33 37.91 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.647 0.737 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.8 Cg_endo -69.79 155.63 65.33 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' PRO . 22.8 mt-10 -35.79 -67.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.406 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 17.9 mt-30 -137.66 101.97 8.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.6 Cg_endo -69.73 -5.15 15.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.338 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 52.1 40.78 29.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.39 -144.42 16.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.3 mm -111.08 138.41 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 111.118 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.583 HD13 ' HB1' ' A' ' 85' ' ' ALA . 46.1 mt -102.61 107.71 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.0 mt -51.12 -59.54 4.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -149.43 158.56 44.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -100.14 113.95 26.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.484 ' HG2' ' CG2' ' A' ' 60' ' ' THR . 9.6 tt0 -83.53 129.69 34.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.811 HG12 HG22 ' A' ' 83' ' ' VAL . 22.9 mt -114.41 127.4 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -109.94 119.36 39.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.477 ' CE2' HD21 ' A' ' 73' ' ' LEU . 48.2 p90 -131.81 135.0 46.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -151.74 162.88 40.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.17 109.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.527 ' HA ' HG23 ' A' ' 80' ' ' VAL . 20.1 tptm -48.01 -54.98 11.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.869 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.472 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 70.0 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.96 0.409 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.484 ' CG2' ' HG2' ' A' ' 45' ' ' GLU . 14.9 m -117.16 140.16 49.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.517 HD22 ' HA ' ' A' ' 70' ' ' VAL . 53.2 tp -125.49 128.31 47.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -96.72 141.34 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 68' ' ' ALA . . . -142.56 128.09 19.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.112 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.0 m -78.56 -30.11 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 67' ' ' ARG . 8.8 t -100.85 153.72 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.7 p -58.86 -5.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.605 ' O ' HG23 ' A' ' 65' ' ' THR . 2.2 mpt_? -114.87 121.72 44.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.45 ' HB2' ' CB ' ' A' ' 63' ' ' ALA . . . -135.29 163.93 28.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.0 m -141.59 110.59 6.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.517 ' HA ' HD22 ' A' ' 61' ' ' LEU . 49.5 t -80.0 107.48 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.7 m -107.28 161.64 14.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.95 39.9 7.3 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.477 HD21 ' CE2' ' A' ' 48' ' ' TYR . 13.8 mt -112.98 173.65 6.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -96.77 138.88 21.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.55 0.69 . . . . 0.0 110.948 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 160.58 49.18 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.08 47.29 10.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 98.8 m -146.14 117.1 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 0.0 111.192 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -61.38 139.53 58.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -133.01 145.82 51.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' A' ' 51' ' ' LYS . 41.8 t -104.9 104.52 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.486 ' HB3' HD11 ' A' ' 29' ' ' LEU . 97.9 m-85 -89.33 146.13 24.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -148.51 102.46 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.811 HG22 HG12 ' A' ' 46' ' ' ILE . 49.8 t -89.82 140.79 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.3 ptt85 -141.47 161.59 37.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.806 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.583 ' HB1' HD13 ' A' ' 41' ' ' ILE . . . -108.69 132.92 53.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.413 ' N ' HG23 ' A' ' 41' ' ' ILE . 17.1 tpt180 -108.91 135.65 49.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.5 p -128.32 147.55 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.6 p -49.49 -37.56 26.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.97 76.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.47 -142.17 3.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 28.0 p -140.21 157.57 45.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -102.41 -116.81 4.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -142.72 150.26 39.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -65.15 141.97 58.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 88.1 p -57.18 169.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.85 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -54.77 148.98 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.3 105.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.4 ttt -100.02 131.26 46.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -106.45 124.07 49.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.76 131.66 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -106.07 118.1 35.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.459 HG22 ' CG2' ' A' ' 27' ' ' VAL . 45.0 p -67.66 155.61 38.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 24' ' ' GLN . . . -49.0 125.2 14.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.4 mttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.526 0.679 . . . . 0.0 110.903 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.791 0.329 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.71 152.0 87.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 178.69 4.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.411 ' HB3' ' HB2' ' A' ' 34' ' ' PRO . 8.0 t -94.75 179.56 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.489 ' CG ' ' HA ' ' A' ' 95' ' ' SER . 30.3 tt0 -108.49 130.47 55.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 14' ' ' VAL . 28.6 m -82.99 109.88 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.38 17.99 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.926 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.3 p -119.03 106.72 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.085 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.7 mt -142.9 132.7 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -130.43 161.27 31.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -107.57 104.26 13.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.49 -54.47 39.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 12.1 mtp-105 -155.05 132.74 11.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.43 103.03 14.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.12 173.55 54.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.63 -46.63 65.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.3 p -117.95 14.61 14.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.08 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.9 m -153.33 152.04 30.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.4 t -135.1 138.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.7 t -105.37 138.19 41.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 81' ' ' PHE . 67.0 mt -115.42 174.72 5.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.3 tp -157.85 109.47 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.507 ' CG ' HG11 ' A' ' 83' ' ' VAL . 31.8 p90 -129.38 167.75 17.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.946 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.926 ' CG ' HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -132.2 160.06 37.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -52.03 144.23 21.4 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.639 0.733 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.411 ' HB2' ' HB3' ' A' ' 12' ' ' SER . 53.1 Cg_endo -69.76 174.06 10.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.22 -39.83 86.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.431 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 59.6 mt-30 -141.62 102.0 5.98 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.8 Cg_endo -69.73 -18.58 37.08 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 54.71 42.76 30.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.59 -161.08 24.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.437 HD12 ' N ' ' A' ' 40' ' ' ILE . 5.0 mp -97.02 126.39 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.407 ' HA ' HG22 ' A' ' 87' ' ' THR . 75.1 mt -96.77 119.63 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.11 -65.85 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.476 ' C ' ' CD ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -143.69 175.15 10.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.676 ' CE1' ' HB2' ' A' ' 85' ' ' ALA . 52.7 m-85 -119.31 120.82 38.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.502 ' OE2' ' N ' ' A' ' 61' ' ' LEU . 6.1 tp10 -86.97 143.38 27.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.45 HD12 HD23 ' A' ' 61' ' ' LEU . 15.2 mt -121.24 120.57 62.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . 80.0 tttt -99.86 117.45 34.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.567 ' CD2' HD21 ' A' ' 73' ' ' LEU . 54.8 p90 -132.84 122.95 25.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -140.1 165.16 28.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.63 112.84 4.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -54.25 -49.62 69.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.861 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.967 0.413 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.4 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 3.0 p -114.39 129.25 56.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.502 ' N ' ' OE2' ' A' ' 45' ' ' GLU . 11.0 tp -116.86 130.05 56.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -92.01 136.75 32.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.33 128.32 18.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.7 m -83.59 -33.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.42 167.2 11.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.6 p -81.98 16.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -140.43 125.81 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.95 165.77 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.5 m -132.65 107.14 8.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.6 t -70.05 106.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.6 m -111.11 143.52 41.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.66 46.56 0.96 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.567 HD21 ' CD2' ' A' ' 48' ' ' TYR . 8.6 mt -121.06 177.61 5.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -99.56 142.59 24.89 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.589 0.709 . . . . 0.0 110.882 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 162.53 41.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.374 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 39.42 47.95 2.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.0 m -145.37 116.49 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 111.146 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -57.28 145.69 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.51 ' CE1' HD22 ' A' ' 73' ' ' LEU . 9.8 m-85 -135.06 161.48 35.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.2 t -124.37 112.11 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.505 ' CD1' HD11 ' A' ' 29' ' ' LEU . 96.9 m-85 -101.26 153.41 19.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.557 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 22.2 mt-30 -156.4 118.12 3.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.507 HG11 ' CG ' ' A' ' 31' ' ' TRP . 96.4 t -99.09 135.73 33.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -142.7 152.44 42.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.676 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . . . -98.34 121.53 40.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -101.92 116.95 33.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 88' ' ' SER . 82.7 p -113.57 143.6 44.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 87' ' ' THR . 77.6 p -35.12 -38.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.45 -54.1 49.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.14 177.36 47.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.0 m -81.53 159.97 24.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -111.91 166.23 12.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -68.74 144.17 54.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 82' ' ' GLN . 6.8 m-85 -62.24 131.28 48.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 25.9 p -37.91 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.511 ' CG ' ' O ' ' A' ' 95' ' ' SER . 18.8 mt-30 -168.52 159.27 10.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.19 102.01 8.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.6 ttt -107.31 126.19 52.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -99.07 123.87 43.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 71.8 t -136.38 131.77 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -103.54 125.15 49.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.7 p -71.89 159.28 34.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.44 126.51 34.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.6 mttt . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.564 0.697 . . . . 0.0 110.873 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.817 0.341 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.44 145.93 18.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.552 0.692 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.502 ' HA ' ' OD1' ' A' ' 38' ' ' ASN . 54.2 Cg_endo -69.79 137.62 35.79 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m -59.5 159.78 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -82.86 148.08 27.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.51 ' O ' ' CB ' ' A' ' 95' ' ' SER . 52.9 t -94.02 123.18 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.0 m -112.62 13.44 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.576 HG11 ' HG2' ' A' ' 32' ' ' GLN . 85.5 t -118.88 105.46 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -142.3 132.08 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -130.45 152.79 49.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -96.36 111.46 23.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 13.5 mm-40 -76.75 -59.69 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 53.0 mtp85 -156.9 120.56 4.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . . . -101.66 102.08 12.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 26' ' ' SER . . . -71.83 -177.72 28.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -64.2 -52.76 57.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.9 p -114.51 15.92 17.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' GLY . 31.3 p -153.74 171.95 18.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.696 HG13 ' HB ' ' A' ' 70' ' ' VAL . 2.7 p -163.19 152.97 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 27' ' ' VAL . 11.1 t -117.25 143.24 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.429 HD22 ' HE1' ' A' ' 98' ' ' MET . 63.9 mt -120.39 171.61 8.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.444 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 7.8 tp -154.13 107.31 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.43 ' CE2' HG11 ' A' ' 83' ' ' VAL . 43.3 p90 -123.45 149.66 44.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.964 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.576 ' HG2' HG11 ' A' ' 16' ' ' VAL . 5.9 pt20 -98.33 157.98 15.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -52.47 146.91 15.55 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.643 0.735 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' GLN . 53.5 Cg_endo -69.82 139.79 40.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' PRO . 42.0 mt-10 -34.5 -34.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.504 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 8.5 mt-30 -151.11 102.04 2.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.504 ' OD1' ' O ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER 53.06 38.9 28.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.31 -165.08 14.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.9 mp -81.71 129.01 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 111.15 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.0 mt -96.2 125.8 48.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt -68.01 -53.33 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -166.43 166.31 16.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -106.15 140.08 39.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.56 135.08 45.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.3 mt -118.97 107.5 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.433 ' HZ3' ' HE2' ' A' ' 49' ' ' TYR . 18.3 tttm -103.16 124.19 48.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.585 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 3.9 p90 -133.55 132.87 41.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.433 ' HE2' ' HZ3' ' A' ' 47' ' ' LYS . 8.8 p90 -132.81 170.79 14.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' LYS . 3.5 mt-10 -64.55 102.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.449 ' HA ' HG23 ' A' ' 80' ' ' VAL . 22.4 tptp -36.62 -47.34 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.858 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.567 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 15.3 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.927 0.394 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 m -96.08 127.56 42.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.217 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tp -107.66 141.89 38.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -106.55 118.29 36.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.63 128.37 44.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.2 m -79.23 -35.74 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 67' ' ' ARG . 2.6 t -97.33 172.59 7.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.5 p -76.64 7.66 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.444 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 18.5 mtp180 -125.95 133.0 51.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.66 163.36 36.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.1 m -127.44 103.21 7.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.751 HG12 HD11 ' A' ' 73' ' ' LEU . 73.8 t -67.18 103.86 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.7 t -112.8 158.09 20.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.74 56.41 2.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.751 HD11 HG12 ' A' ' 70' ' ' VAL . 1.8 mt -127.77 177.79 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.898 0.38 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -103.93 140.5 21.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.535 0.683 . . . . 0.0 110.928 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 138.75 38.47 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.35 49.84 74.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.3 m -146.96 110.99 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 111.138 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -52.44 149.52 5.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -146.88 133.04 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 51' ' ' LYS . 82.3 t -95.08 106.87 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.14 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.733 ' HE1' HG11 ' A' ' 70' ' ' VAL . 94.7 m-85 -91.09 153.82 19.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -157.13 110.14 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.431 ' N ' ' OG ' ' A' ' 95' ' ' SER . 45.4 t -89.01 143.25 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.415 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 1.3 ptp180 -142.65 160.5 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -107.52 143.3 36.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ttt85 -128.05 130.94 49.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 88' ' ' SER . 23.8 p -123.29 149.57 44.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 87' ' ' THR . 41.9 t -37.93 -47.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.51 -65.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -159.26 -141.06 3.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.6 m -131.76 159.47 38.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -100.43 -121.33 4.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -134.17 156.26 48.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.413 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 3.4 m-85 -75.0 132.3 41.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 27.3 p -52.21 178.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -60.55 148.4 38.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.58 106.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.429 ' HE1' HD22 ' A' ' 29' ' ' LEU . 2.1 ttt -95.37 142.63 27.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.424 ' N ' ' HG2' ' A' ' 98' ' ' MET . 29.6 mt-10 -120.51 124.05 44.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 79.5 t -144.99 131.54 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -100.75 120.46 40.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.6 p -52.38 -179.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.05 108.6 2.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.2 mttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 110.835 -179.955 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.79 0.328 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 153.56 89.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.726 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -174.91 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.479 ' CB ' ' H ' ' A' ' 36' ' ' GLN . 7.6 t -90.98 131.61 36.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -57.4 108.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -52.01 102.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 15' ' ' VAL . 0.5 OUTLIER -100.77 -2.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.627 HG11 ' HB2' ' A' ' 32' ' ' GLN . 33.4 t -92.55 104.77 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.9 mt -142.68 124.31 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -133.34 160.47 37.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -105.73 103.06 12.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -65.7 -58.6 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -141.78 169.07 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -151.46 122.75 7.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.21 -147.27 17.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -89.63 -53.19 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.4 p -117.76 17.96 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.8 p -141.91 160.74 39.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.7 t -154.96 132.33 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.4 t -96.94 135.84 38.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.571 HD11 ' CG ' ' A' ' 81' ' ' PHE . 30.3 mt -121.69 140.59 52.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.486 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 9.6 tp -128.29 109.5 11.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.47 ' CH2' HD11 ' A' ' 46' ' ' ILE . 43.5 p90 -121.2 144.75 48.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.627 ' HB2' HG11 ' A' ' 16' ' ' VAL . 9.6 mt-30 -94.65 161.77 14.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -57.71 160.63 7.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.695 0.759 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' GLN . 54.4 Cg_endo -69.71 122.12 8.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' PRO . 20.9 mt-10 -32.6 -35.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 34' ' ' PRO . 20.2 mt-30 -148.67 102.26 3.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.579 0.704 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -34.56 14.17 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.256 . . . . 0.0 112.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 56.56 35.65 26.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.68 -156.28 26.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.517 HD12 ' N ' ' A' ' 40' ' ' ILE . 4.3 mp -101.36 141.82 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.493 ' HA ' HG22 ' A' ' 87' ' ' THR . 29.5 mt -107.76 132.0 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mt -81.21 -60.01 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -161.37 170.51 19.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 83.3 m-85 -109.49 149.13 30.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -119.38 144.2 47.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.523 HG12 HG22 ' A' ' 83' ' ' VAL . 13.2 mt -126.6 118.18 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -103.43 119.17 38.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -124.73 132.02 53.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 4.1 p90 -149.34 167.07 27.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -69.71 102.28 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.549 ' CB ' HG23 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -46.26 -31.35 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.458 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 21.9 t70 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.946 0.403 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.3 m -133.4 146.09 50.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 tp -122.49 155.23 36.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -120.18 133.83 55.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.71 133.06 23.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.4 m -86.9 -31.51 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.9 t -97.82 166.69 11.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.1 p -81.0 17.97 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.486 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 33.0 mtm180 -136.64 123.86 21.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.74 151.26 32.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.4 m -124.53 105.78 9.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 81' ' ' PHE . 87.2 t -64.94 108.74 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 t -111.12 155.43 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.99 40.2 4.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 mt -112.93 164.75 13.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -88.33 142.41 31.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.569 0.699 . . . . 0.0 110.932 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 150.06 67.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.258 . . . . 0.0 112.33 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 53.57 45.28 67.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 39.6 m -145.96 107.66 4.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 111.132 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -54.72 146.64 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -139.94 130.17 25.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.549 HG23 ' CB ' ' A' ' 51' ' ' LYS . 99.5 t -90.3 119.5 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CG ' HD11 ' A' ' 29' ' ' LEU . 96.0 m-85 -101.93 151.83 21.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.524 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 47.0 mt-30 -150.71 115.06 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.523 HG22 HG12 ' A' ' 46' ' ' ILE . 62.1 t -106.28 143.77 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.552 ' HD3' ' CD1' ' A' ' 94' ' ' PHE . 20.2 ptt180 -153.3 153.28 32.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.473 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -101.71 135.54 43.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -118.26 111.93 19.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.493 HG22 ' HA ' ' A' ' 41' ' ' ILE . 61.5 p -102.35 141.97 34.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 87' ' ' THR . 1.6 t -33.87 -42.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.56 -64.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.092 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.47 179.09 27.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.432 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 53.7 t -109.02 132.12 54.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -77.45 171.6 55.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -90.05 144.91 25.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.355 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.552 ' CD1' ' HD3' ' A' ' 84' ' ' ARG . 7.3 m-85 -57.43 131.39 49.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.6 t -58.22 175.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -52.29 145.66 10.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.06 109.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.477 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 1.4 tpt -79.09 146.87 32.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.477 ' N ' ' HG3' ' A' ' 98' ' ' MET . 10.6 mt-10 -124.12 124.24 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 96.2 t -155.44 140.48 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -109.15 148.1 31.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 46.5 p -91.67 172.77 8.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -68.48 127.82 23.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.701 . . . . 0.0 110.912 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.765 0.317 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.57 150.87 57.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.702 . . . . 0.0 111.062 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.492 ' HG3' HG23 ' A' ' 87' ' ' THR . 53.6 Cg_endo -69.77 148.57 65.28 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.383 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.0 p -71.39 131.05 42.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -54.72 121.52 8.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 16' ' ' VAL . 61.9 t -56.43 120.07 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.9 m -109.89 17.98 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.3 p -129.7 114.3 30.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.526 HG21 ' SD ' ' A' ' 98' ' ' MET . 18.9 mt -142.89 137.36 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -135.47 139.47 44.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -94.31 104.22 16.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.412 ' C ' ' HG2' ' A' ' 21' ' ' ARG . 13.4 mt-10 -58.42 -63.46 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HG2' ' C ' ' A' ' 20' ' ' GLU . 26.8 mmt85 -149.65 147.69 28.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.01 103.01 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.6 175.88 17.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -55.6 133.57 50.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.748 HG22 ' O ' ' A' ' 73' ' ' LEU . 27.2 p 39.87 32.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.8 p -154.61 146.33 23.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.0 t -156.29 131.06 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.2 t -101.21 129.91 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.61 HD11 ' CD1' ' A' ' 81' ' ' PHE . 94.8 mt -116.78 133.99 55.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.3 tp -127.58 102.02 6.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 45.9 p90 -112.99 143.71 43.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.492 ' OE1' ' N ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -91.82 148.09 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' A' ' 32' ' ' GLN . 2.7 mt-10 -51.95 150.13 8.17 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.642 0.734 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 138.33 37.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.3 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.44 -37.91 40.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 17.0 mm-40 -133.61 101.96 12.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.569 0.699 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 54.3 Cg_endo -69.69 -35.04 13.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 55.29 45.49 25.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.9 -163.29 25.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.435 HD12 ' N ' ' A' ' 40' ' ' ILE . 5.0 mp -98.5 126.41 51.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 111.148 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.469 ' HA ' HG22 ' A' ' 87' ' ' THR . 22.7 mt -91.71 110.53 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.21 -62.97 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -156.06 159.52 39.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 60.7 m-85 -99.59 135.78 40.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -102.29 137.55 40.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.603 HD12 HD23 ' A' ' 61' ' ' LEU . 13.8 mt -118.76 116.03 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . 51.3 tttt -100.29 115.38 29.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 59' ' ' SER . 33.1 p90 -128.04 126.83 42.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 4.0 p90 -144.1 165.53 27.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -54.6 111.08 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.752 ' HA ' HG23 ' A' ' 80' ' ' VAL . 13.8 tptp -42.07 -53.48 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 48' ' ' TYR . 4.9 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.973 0.416 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.7 m -126.85 145.42 50.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.603 HD23 HD12 ' A' ' 46' ' ' ILE . 8.6 tp -136.26 133.21 36.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -99.98 126.45 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.37 128.59 44.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.4 m -77.05 -35.86 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 t -99.14 169.6 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.6 p -80.97 15.3 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -134.62 123.33 23.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.11 145.04 21.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.7 m -114.1 103.82 11.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.15 103.03 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.4 m -110.91 135.13 51.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.26 37.14 0.76 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.748 ' O ' HG22 ' A' ' 25' ' ' THR . 19.9 mt -112.52 176.71 4.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.915 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' HZ2' HG21 ' A' ' 77' ' ' THR . 6.0 mtmp? -92.83 143.06 26.36 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 110.917 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.94 64.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.41 39.94 37.55 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.555 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.423 HG21 ' HZ2' ' A' ' 74' ' ' LYS . 88.0 m -135.33 112.91 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 0.0 111.167 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -55.25 151.41 9.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -144.14 152.89 41.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.752 HG23 ' HA ' ' A' ' 51' ' ' LYS . 98.9 t -112.03 111.34 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CD1' HD11 ' A' ' 29' ' ' LEU . 83.6 m-85 -95.57 150.4 20.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -153.34 108.12 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.418 ' HB ' HD11 ' A' ' 17' ' ' ILE . 59.5 t -91.26 143.1 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.405 ' HD3' ' CE1' ' A' ' 94' ' ' PHE . 28.8 ptt180 -146.32 158.58 43.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.449 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -112.99 126.66 55.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.428 ' HD3' ' C ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -114.0 135.96 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.492 HG23 ' HG3' ' A' ' 11' ' ' PRO . 60.1 p -129.35 152.92 48.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' THR . 94.1 p -38.44 -43.68 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.18 -59.02 4.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -160.82 -135.43 1.82 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 42.5 t -146.21 127.38 14.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.344 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -72.94 -174.49 26.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -95.72 157.25 15.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.352 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 47' ' ' LYS . 4.3 m-85 -71.16 132.66 45.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.1 p -52.07 177.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -58.94 144.9 43.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.63 107.27 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.526 ' SD ' HG21 ' A' ' 17' ' ' ILE . 16.5 ttt -92.15 147.1 23.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -121.75 123.58 42.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 75.6 t -145.6 141.16 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -112.87 149.27 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 62.6 p -90.18 179.22 5.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.13 136.32 25.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.798 0.332 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.5 150.87 52.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 174.57 9.32 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.408 ' HB2' ' H ' ' A' ' 36' ' ' GLN . 2.0 t -88.62 178.8 6.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.474 ' OE1' ' C ' ' A' ' 14' ' ' VAL . 0.7 OUTLIER -101.12 125.53 47.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 14' ' ' VAL . 15.1 m -74.06 112.81 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 m -100.17 17.92 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.0 t -117.49 105.3 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.453 HD12 ' OG ' ' A' ' 95' ' ' SER . 10.1 mt -141.72 127.47 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -134.29 145.27 48.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -90.73 112.11 23.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.457 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 3.6 mm-40 -69.43 -55.94 8.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -152.73 156.25 38.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.05 122.09 16.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -129.36 -159.78 9.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -67.31 122.55 18.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 p 42.41 31.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.3 p -148.4 134.64 19.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.496 HG11 ' CE2' ' A' ' 81' ' ' PHE . 95.9 t -145.49 141.62 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.2 t -109.27 141.14 41.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 81' ' ' PHE . 82.2 mt -121.49 151.82 39.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 30' ' ' LEU . 3.9 mt -136.16 113.23 10.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.567 ' CG ' HG11 ' A' ' 83' ' ' VAL . 31.8 p90 -133.36 163.81 28.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -123.27 163.82 19.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -54.33 145.9 34.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.7 Cg_endo -69.77 145.92 58.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 34' ' ' PRO . 35.0 mt-10 -32.27 -63.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.423 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 4.2 pt20 -122.31 102.03 40.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 54.2 Cg_endo -69.73 -25.56 28.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 53.23 38.97 28.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.91 171.22 12.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.498 ' H ' HD12 ' A' ' 40' ' ' ILE . 5.2 mp -67.66 133.94 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.468 HG21 ' CE1' ' A' ' 44' ' ' TYR . 50.4 mt -92.33 107.72 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -51.7 -56.48 13.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -167.85 161.21 12.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.468 ' CE1' HG21 ' A' ' 41' ' ' ILE . 41.9 m-85 -100.04 152.75 19.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 10.4 mt-10 -125.46 131.49 52.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.595 HD13 HD23 ' A' ' 61' ' ' LEU . 5.2 mp -110.11 135.6 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . 11.7 tttp -111.83 115.33 28.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.5 ' CE2' ' HB2' ' A' ' 59' ' ' SER . 30.9 p90 -123.65 119.34 29.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.409 ' CZ ' ' HB ' ' A' ' 80' ' ' VAL . 10.8 p90 -133.41 158.41 43.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -56.11 109.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' HA ' HG23 ' A' ' 80' ' ' VAL . 18.8 tptp -49.18 -53.34 21.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.872 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.5 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 24.7 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.96 0.41 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.4 m -119.67 138.61 53.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.595 HD23 HD13 ' A' ' 46' ' ' ILE . 9.6 tp -113.47 140.6 47.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -101.87 117.47 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.53 128.63 52.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.3 m -82.68 -35.11 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 66' ' ' THR . 1.5 t -98.89 175.53 5.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.446 ' N ' ' OG1' ' A' ' 65' ' ' THR . 20.6 p -82.2 15.85 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.433 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 61.6 mtt-85 -139.67 128.67 23.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.81 152.82 31.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.0 m -121.03 105.45 10.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.505 ' CG1' HD21 ' A' ' 73' ' ' LEU . 92.6 t -68.9 102.66 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 t -106.98 161.9 14.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.05 37.6 9.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.505 HD21 ' CG1' ' A' ' 70' ' ' VAL . 16.5 mt -104.34 178.97 4.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -87.08 133.47 38.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.519 0.676 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 145.21 56.34 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.65 42.31 51.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.6 m -143.43 116.05 8.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 111.177 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.412 ' HB3' ' CB ' ' A' ' 51' ' ' LYS . 33.4 mtt-85 -57.31 142.43 43.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -132.97 140.37 47.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 98' ' ' MET . 42.9 t -96.97 110.6 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.496 ' CE2' HG11 ' A' ' 27' ' ' VAL . 93.7 m-85 -91.67 153.53 19.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.487 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 45.6 mt-30 -157.63 116.56 3.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.567 HG11 ' CG ' ' A' ' 31' ' ' TRP . 67.4 t -88.92 148.25 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.462 ' HG2' ' CE1' ' A' ' 94' ' ' PHE . 4.0 ptp180 -151.96 160.08 43.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.61 170.33 8.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.7 ttm-85 -147.38 107.77 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 40' ' ' ILE . 9.7 p -124.53 149.21 47.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 p -39.52 -50.84 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.14 -60.71 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -147.32 -177.14 21.58 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 92' ' ' GLY . 78.6 m -112.14 17.2 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 91' ' ' CYS . . . 43.96 -169.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -112.39 159.45 18.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 82' ' ' GLN . 13.9 m-85 -59.74 171.23 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.458 ' HB2' ' O ' ' A' ' 14' ' ' VAL . 78.5 p -79.03 -78.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 95' ' ' SER . 39.0 mt-30 -163.27 160.62 24.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.08 102.0 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.494 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 1.4 tpt -93.42 149.23 21.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.494 ' N ' ' HG3' ' A' ' 98' ' ' MET . 32.2 mt-10 -125.1 124.5 42.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 92.5 t -152.8 149.52 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -116.45 141.39 48.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 75.7 p -81.8 176.6 9.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.95 116.6 4.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.2 mttt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.524 0.678 . . . . 0.0 110.919 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 m -148.23 105.75 3.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.912 0.387 . . . . 0.0 110.853 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 m -86.07 124.92 33.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.72 136.03 13.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -165.92 169.9 14.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -149.18 145.25 27.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.38 -152.3 23.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -106.69 167.14 10.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 0.0 110.925 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.94 154.57 40.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.474 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -76.13 152.58 84.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.541 0.686 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 163.73 37.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -70.54 176.44 4.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -114.13 115.82 28.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.3 t -56.77 125.99 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 m -117.91 11.63 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.7 t -122.54 114.72 43.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.7 mt -142.13 136.54 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 mtt-85 -138.14 151.15 47.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.637 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 7.7 tt0 -93.81 120.9 34.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -83.01 -47.54 11.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.7 mtt85 -154.12 116.55 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.637 ' HB2' ' CD ' ' A' ' 19' ' ' GLN . . . -97.16 102.41 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' SER . . . -81.94 179.04 53.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -70.04 -44.73 68.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.3 p -117.1 -12.73 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' GLY . 64.0 p -124.17 144.49 49.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.64 143.9 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.3 t -106.68 161.04 15.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -136.47 162.57 32.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 14.0 tp -154.06 110.54 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.456 ' CD2' HG11 ' A' ' 83' ' ' VAL . 46.2 p90 -125.37 173.31 8.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 33' ' ' GLU . 4.2 pp0? -112.33 169.92 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.497 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 4.2 mt-10 -67.66 146.25 98.45 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.608 0.718 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' GLU . 54.0 Cg_endo -69.74 135.04 29.49 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.382 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' PRO . 35.6 mt-10 -35.21 -64.31 0.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 12.8 mm-40 -121.61 102.01 42.49 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.6 0.714 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 54.0 Cg_endo -69.75 -30.55 22.14 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 10' ' ' ALA . 60.0 m-20 60.21 43.37 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.96 -162.87 24.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.99 127.61 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 111.117 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.5 mt -90.21 121.88 40.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.2 mt -68.37 -55.39 12.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -166.34 157.53 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.447 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 83.3 m-85 -95.71 131.42 42.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.58 122.74 44.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.513 ' CG1' HG22 ' A' ' 83' ' ' VAL . 5.1 mp -103.99 139.63 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.168 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -113.87 118.59 34.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.509 ' CD2' HG11 ' A' ' 70' ' ' VAL . 48.3 p90 -128.74 128.0 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 4.2 p90 -146.75 156.46 43.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -53.24 110.59 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.42 ' HD3' ' CG2' ' A' ' 80' ' ' VAL . 49.7 tptt -49.57 -53.57 23.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -70.22 -42.31 72.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -101.78 105.97 16.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -88.18 102.23 14.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 30.0 mtm -88.29 131.95 34.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -49.85 -43.94 49.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.0 p -93.62 102.0 14.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -84.69 153.96 22.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 m -96.42 130.86 43.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.8 p -105.2 154.02 20.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.787 HD22 HG22 ' A' ' 70' ' ' VAL . 16.0 tp -130.46 126.99 38.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' CD ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -89.92 121.51 32.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.35 130.13 51.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.8 m -88.13 -26.28 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 66' ' ' THR . 1.8 t -114.41 175.38 5.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.436 ' N ' ' OG1' ' A' ' 65' ' ' THR . 58.0 p -70.95 0.93 6.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.502 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 24.3 mtp180 -117.87 140.85 49.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.58 160.2 42.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.1 m -141.6 114.05 8.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.787 HG22 HD22 ' A' ' 61' ' ' LEU . 73.0 t -85.71 117.63 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.5 m -115.05 154.91 27.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.85 36.96 4.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 48' ' ' TYR . 6.4 mt -113.64 176.29 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.934 0.397 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -102.85 143.37 26.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.701 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 160.87 48.09 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.34 42.5 18.32 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.2 m -141.98 121.2 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.759 0.314 . . . . 0.0 111.161 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.4 mtt-85 -64.47 145.35 56.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 35.6 m-85 -137.43 131.61 32.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.42 ' CG2' ' HD3' ' A' ' 51' ' ' LYS . 49.9 t -93.56 106.16 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.149 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 95.6 m-85 -89.98 152.11 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -154.44 107.98 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.513 HG22 ' CG1' ' A' ' 46' ' ' ILE . 48.8 t -93.31 137.77 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.496 ' HG2' ' CE1' ' A' ' 94' ' ' PHE . 25.6 ptt180 -143.53 152.92 42.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.447 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -98.46 136.82 38.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -120.49 133.38 55.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 33.5 p -130.01 145.47 51.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.8 t -41.72 -44.92 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.43 -56.14 10.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.63 -139.72 2.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 78.7 m -143.5 144.97 32.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.366 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.8 -174.54 32.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.6 mtt85 -86.13 169.28 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.496 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 10.3 m-85 -90.06 145.23 25.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.9 p -60.24 177.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -61.73 150.81 35.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.59 102.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.7 ttt -90.22 127.71 36.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -103.59 124.2 48.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 77.0 t -140.46 138.14 36.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -115.9 129.35 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.7 p -73.47 170.5 15.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.48 124.44 10.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.527 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -61.82 149.07 86.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.616 0.722 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 106' ' ' SER . 53.6 Cg_endo -69.77 -33.1 17.24 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 105' ' ' PRO . 98.7 p -35.02 -45.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -169.97 -168.75 32.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 176.75 6.33 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.711 2.274 . . . . 0.0 112.366 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 t -74.27 -50.31 19.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.0 p -110.39 156.34 20.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.1 p -117.12 169.19 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 4' ' ' GLY . 4.1 m -123.96 168.0 13.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 37.06 -121.2 0.76 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -72.91 102.55 3.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.858 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 m -46.27 -47.09 18.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.99 -130.86 2.18 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.96 174.79 5.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.92 170.0 8.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.602 ' HB1' ' O ' ' A' ' 91' ' ' CYS . . . -69.39 146.56 96.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 140.88 43.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.4 p -56.62 168.1 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -99.76 130.85 46.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.3 t -65.98 124.86 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.2 m -116.84 17.86 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.59 HG11 ' CG ' ' A' ' 32' ' ' GLN . 3.4 p -134.63 112.02 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.7 mt -141.89 136.66 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.2 mtt-85 -133.77 172.07 13.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.454 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 5.5 tt0 -118.21 116.46 26.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.14 -55.29 6.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -145.63 131.56 19.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.454 ' HB2' ' CD ' ' A' ' 19' ' ' GLN . . . -106.25 111.25 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.26 -171.15 36.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.465 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -73.62 -54.59 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.9 p -116.74 16.84 15.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 p -147.91 143.9 27.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.0 t -139.69 128.81 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.3 t -92.84 146.42 23.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 81' ' ' PHE . 89.6 mt -124.59 152.56 43.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.3 tp -139.87 111.81 7.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 40.2 p90 -129.16 143.28 50.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.59 ' CG ' HG11 ' A' ' 16' ' ' VAL . 2.7 pt20 -96.25 163.28 13.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -52.88 138.86 43.57 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.64 0.733 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 164.65 33.69 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -45.98 -68.25 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -129.02 102.0 19.32 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.648 0.737 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.4 37.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.383 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 56.09 40.48 30.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.1 179.02 15.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.48 HD12 ' H ' ' A' ' 40' ' ' ILE . 5.3 mp -77.77 125.74 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.497 ' HA ' HG22 ' A' ' 87' ' ' THR . 42.8 mt -86.16 118.23 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.0 mt -59.26 -56.16 25.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' CD ' ' HD2' ' A' ' 62' ' ' LYS . 15.3 pt-20 -157.44 158.5 35.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -100.78 128.09 46.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HG3' ' NZ ' ' A' ' 62' ' ' LYS . 30.5 tt0 -91.77 122.23 34.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.2 mt -107.89 111.19 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -100.37 119.77 38.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -136.39 125.36 24.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.498 ' CE1' ' HG2' ' A' ' 54' ' ' GLU . 14.5 p90 -134.25 164.29 27.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.461 ' CB ' ' HB2' ' A' ' 53' ' ' LYS . 4.7 mt-10 -55.39 107.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.523 ' HA ' HG23 ' A' ' 80' ' ' VAL . 33.5 tptt -45.14 -51.08 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -72.94 -41.68 64.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.461 ' HB2' ' CB ' ' A' ' 50' ' ' GLU . 11.4 mmpt? -99.29 102.08 13.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.498 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 5.6 tm-20 -102.77 103.45 13.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.452 ' HE1' ' HB2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -119.69 169.81 9.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.866 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -61.51 -44.61 96.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.4 t -64.57 110.37 2.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -120.75 153.66 36.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.7 p -96.62 150.74 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.86 128.88 25.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 tp -115.58 129.01 56.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.958 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.437 ' HD2' ' CD ' ' A' ' 43' ' ' GLU . 14.3 mmtm -96.25 138.62 33.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.89 130.88 17.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.4 m -81.63 -33.01 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.552 HG23 ' H ' ' A' ' 67' ' ' ARG . 9.7 t -95.75 169.19 10.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.9 p -79.99 14.04 1.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.552 ' H ' HG23 ' A' ' 65' ' ' THR . 43.1 mtt85 -134.48 118.84 17.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.63 154.73 46.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.8 m -123.04 127.11 48.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.405 HG21 ' HE1' ' A' ' 81' ' ' PHE . 93.5 t -88.44 124.29 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.1 p -124.35 158.1 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.31 41.05 6.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.0 mt -111.13 177.86 4.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -109.7 144.02 29.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.563 0.697 . . . . 0.0 110.916 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 154.95 67.3 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.64 2.227 . . . . 0.0 112.356 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.9 48.94 18.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 94.5 m -146.49 117.19 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -64.78 142.65 58.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -135.61 132.19 36.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' A' ' 51' ' ' LYS . 46.2 t -92.39 104.62 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.433 ' CD1' HD11 ' A' ' 29' ' ' LEU . 95.0 m-85 -83.85 154.62 23.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -157.97 102.79 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.0 t -92.92 142.02 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.567 ' HD3' ' CZ ' ' A' ' 94' ' ' PHE . 27.6 ptt85 -145.64 156.01 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.77 142.45 34.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.7 ttt85 -134.47 139.54 45.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 41' ' ' ILE . 76.0 p -127.63 172.26 10.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -64.66 -35.41 80.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.39 -62.37 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -146.89 -158.62 7.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.602 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 21.6 p -132.04 162.07 31.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.861 0.362 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.09 -166.17 19.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -98.23 177.81 5.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.567 ' CZ ' ' HD3' ' A' ' 84' ' ' ARG . 6.5 m-85 -96.64 137.41 35.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.2 t -55.56 161.43 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -52.15 149.03 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.79 105.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.5 ttt -91.32 124.75 35.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -100.1 125.16 46.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 76.8 t -148.53 131.93 7.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -102.52 149.24 24.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 39.1 p -95.83 175.27 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.077 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -72.16 118.94 7.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -61.98 155.08 65.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.546 0.689 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -3.41 11.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 t -118.2 124.04 46.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 143.33 177.98 18.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 122.3 8.97 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.1 t -140.42 120.8 14.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.5 p -47.97 -28.11 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.487 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.1 p -67.58 -51.13 54.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.903 0.382 . . . . 0.0 110.819 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -153.6 143.16 21.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.86 155.78 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -106.11 124.78 50.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.863 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.4 p -111.16 176.54 4.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.77 -126.17 8.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.447 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -124.85 171.91 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.05 163.77 23.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.554 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -85.84 159.19 55.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.73 . . . . 0.0 111.079 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.554 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 53.7 Cg_endo -69.71 145.58 57.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.715 2.276 . . . . 0.0 112.351 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 p -59.24 171.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -93.89 118.85 32.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.06 125.71 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -118.02 15.52 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.2 t -118.71 107.85 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.51 HD11 ' CB ' ' A' ' 95' ' ' SER . 83.9 mt -142.2 136.43 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -136.38 173.5 11.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -115.27 103.57 10.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.29 -51.43 57.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.5 mtm-85 -148.19 144.13 27.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.18 114.85 18.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.86 -162.62 26.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -80.06 -53.31 6.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.7 p -117.02 17.36 14.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.7 p -143.34 157.12 44.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.1 t -154.97 143.11 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.176 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.7 t -113.07 150.78 31.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -129.31 155.08 46.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 10.3 tp -138.71 114.71 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.512 ' CD2' HG11 ' A' ' 83' ' ' VAL . 37.3 p90 -133.18 143.01 48.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -91.46 159.12 16.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -55.54 149.73 28.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.7 Cg_endo -69.8 140.71 43.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 34' ' ' PRO . 37.2 mt-10 -37.42 -54.49 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.43 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 77.7 mt-30 -128.3 102.01 21.39 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.8 Cg_endo -69.73 -26.7 27.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.747 2.298 . . . . 0.0 112.361 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 55.16 42.75 30.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.12 -171.15 22.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 40' ' ' ILE . 4.7 mp -86.67 128.46 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.341 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.856 HD13 ' OH ' ' A' ' 44' ' ' TYR . 47.7 mt -87.83 118.05 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.9 -59.34 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -154.02 172.35 17.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.856 ' OH ' HD13 ' A' ' 41' ' ' ILE . 47.3 m-85 -120.04 114.99 22.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.486 ' CB ' ' HD3' ' A' ' 84' ' ' ARG . 0.4 OUTLIER -82.82 127.51 33.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.438 HD11 ' CH2' ' A' ' 31' ' ' TRP . 11.8 mt -115.12 126.71 72.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . 35.5 tttt -105.57 125.05 50.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.475 ' CD2' HG11 ' A' ' 70' ' ' VAL . 4.7 p90 -132.19 129.39 39.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.584 ' CE1' ' HG2' ' A' ' 54' ' ' GLU . 27.8 p90 -144.16 164.0 31.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.1 108.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.453 ' HD3' HG22 ' A' ' 80' ' ' VAL . 19.4 tptp -47.39 -54.71 10.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -68.65 -42.0 78.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -102.2 102.76 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.584 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 10.2 tm-20 -102.91 111.18 23.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.41 ' CE ' ' O ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -117.89 166.48 12.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -63.96 -40.85 97.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.41 ' O ' ' CE ' ' A' ' 55' ' ' MET . 66.0 p -76.97 109.71 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -118.19 153.89 33.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.36 151.72 19.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.8 m -131.2 148.89 52.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.3 tp -130.75 127.42 38.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -92.0 135.94 33.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -136.78 129.71 30.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.164 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.69 -26.26 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 67' ' ' ARG . 0.2 OUTLIER -107.22 171.58 7.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.43 ' N ' ' OG1' ' A' ' 65' ' ' THR . 33.7 p -74.28 5.2 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.467 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 43.3 mtt180 -128.04 136.17 50.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.78 163.24 39.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.2 m -136.83 118.24 14.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.589 HG21 ' HE1' ' A' ' 81' ' ' PHE . 39.3 t -86.12 107.35 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.6 m -107.69 157.44 18.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.68 42.2 5.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.2 mt -113.53 172.57 6.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -96.79 141.16 22.67 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.714 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.88 48.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.7 50.58 8.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.6 m -151.12 118.42 5.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 0.0 111.164 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -65.62 139.8 58.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -130.24 140.39 50.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.453 HG22 ' HD3' ' A' ' 51' ' ' LYS . 60.2 t -99.48 111.09 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.589 ' HE1' HG21 ' A' ' 70' ' ' VAL . 90.3 m-85 -96.28 150.51 20.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.532 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 61.6 mt-30 -151.09 112.93 4.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.512 HG11 ' CD2' ' A' ' 31' ' ' TRP . 44.3 t -91.65 140.1 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.601 ' HD2' ' CE1' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -140.99 153.52 45.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.582 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -108.16 143.42 36.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -133.73 130.46 38.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.9 p -121.49 170.78 9.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 t -60.11 -45.28 93.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.28 -59.3 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.5 -143.6 3.76 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.8 t -155.97 142.73 18.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -80.28 -134.97 1.39 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.467 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 73.1 mtt85 -141.86 165.53 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.601 ' CE1' ' HD2' ' A' ' 84' ' ' ARG . 4.8 m-85 -64.12 150.2 46.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.51 ' CB ' HD11 ' A' ' 17' ' ' ILE . 25.9 m -75.75 176.88 7.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -52.03 143.75 13.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.62 102.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.432 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 2.7 tpt -85.71 145.07 27.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 98' ' ' MET . 23.9 mt-10 -123.44 124.92 43.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.5 t -142.45 136.25 27.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -112.16 138.72 48.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.5 p -90.87 167.83 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -72.53 122.87 8.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.464 ' N ' ' HD3' ' A' ' 104' ' ' LYS . 1.4 mppt? -57.75 156.23 18.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.647 0.737 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 96.1 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.665 2.243 . . . . 0.0 112.329 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -75.62 120.46 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -138.75 -179.28 17.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 89.88 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.0 m -90.03 177.61 6.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 78.6 p -103.88 159.63 15.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -71.98 169.74 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.849 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.5 p -98.88 152.98 19.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.61 108.96 2.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -79.43 121.8 25.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.383 . . . . 0.0 110.851 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.4 p -37.65 -46.24 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.94 -103.14 0.56 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -118.34 171.04 8.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.05 125.88 30.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.506 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -64.43 157.95 69.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.546 0.688 . . . . 0.0 111.097 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.506 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 53.2 Cg_endo -69.8 154.06 68.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.318 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 p -71.92 147.65 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.456 ' OE1' ' C ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -72.98 125.46 27.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.456 ' C ' ' OE1' ' A' ' 13' ' ' GLN . 57.5 t -62.64 103.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -96.18 5.97 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 p -118.01 108.18 23.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.2 mt -142.38 143.66 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -141.55 173.1 11.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -122.98 110.74 15.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.468 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 2.4 mm-40 -69.34 -56.42 7.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.0 mtm105 -148.03 143.29 27.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.98 141.32 52.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -134.86 -164.87 10.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -67.15 -61.22 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -117.39 17.86 14.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.6 p -137.05 144.63 43.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.4 t -154.49 137.01 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.1 t -107.68 147.47 30.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.7 mt -133.07 136.2 45.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 30' ' ' LEU . 5.9 mt -116.36 126.38 53.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 26.4 p90 -145.56 130.35 18.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -91.37 170.3 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -52.06 135.49 38.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.712 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 165.7 30.11 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.61 2.207 . . . . 0.0 112.372 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -41.77 -67.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -133.55 102.0 12.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.712 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.444 ' HB3' HD11 ' A' ' 41' ' ' ILE . 53.9 Cg_endo -69.76 -16.83 37.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 56.73 47.32 18.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.77 -166.96 13.86 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mp -87.5 124.53 40.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.444 HD11 ' HB3' ' A' ' 37' ' ' PRO . 44.0 mt -85.74 109.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.3 mt -46.42 -55.91 6.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.502 ' C ' ' CD ' ' A' ' 43' ' ' GLU . 0.5 OUTLIER -159.5 165.32 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -103.84 110.04 22.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -78.42 128.33 33.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.5 mt -115.41 115.5 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -107.83 115.28 29.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 59' ' ' SER . 2.0 p90 -121.55 125.15 46.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.579 ' CE1' ' HG2' ' A' ' 54' ' ' GLU . 4.2 p90 -130.7 165.43 22.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.04 116.35 4.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.579 ' HA ' HG23 ' A' ' 80' ' ' VAL . 19.2 tptm -42.82 -49.48 5.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -74.07 -41.28 61.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -104.54 107.34 18.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.579 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 9.7 mt-10 -103.05 -36.16 8.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.48 ' HE3' ' HB2' ' A' ' 54' ' ' GLU . 25.1 mmt -66.41 -38.44 87.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -55.45 166.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.9 t -53.91 141.1 28.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -118.21 153.83 33.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.962 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.576 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 49.6 m -99.65 134.38 42.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.0 m -113.99 137.04 52.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.8 tp -122.57 149.31 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -116.81 126.63 53.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.92 135.0 51.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.052 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.4 m -91.06 -29.84 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.9 OUTLIER -104.05 174.74 5.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.453 ' N ' ' OG1' ' A' ' 65' ' ' THR . 16.2 p -80.29 14.51 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.466 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 53.2 mtt85 -139.96 119.8 13.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.98 157.89 44.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.0 m -129.42 115.78 18.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.4 t -80.04 111.52 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.6 m -112.37 160.33 17.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.5 39.86 9.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.406 HD21 ' CE2' ' A' ' 48' ' ' TYR . 28.5 mt -106.72 178.37 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.939 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -101.17 132.27 22.15 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.729 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 164.38 34.72 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 42.82 43.13 5.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.4 m -145.64 115.43 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 111.154 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -61.05 137.18 58.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -128.56 156.94 42.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.579 HG23 ' HA ' ' A' ' 51' ' ' LYS . 89.9 t -118.08 106.91 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 97.8 m-85 -90.06 147.31 23.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -149.13 109.04 4.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.48 139.6 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.596 ' HG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -144.14 142.22 30.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.17 121.85 41.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -108.93 121.71 45.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 88' ' ' SER . 39.2 p -107.18 145.21 32.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 87' ' ' THR . 8.1 t -34.82 -43.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.13 -64.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -152.14 -143.97 3.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.6 p -135.33 160.75 37.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.817 0.341 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.88 162.08 13.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -61.67 147.57 45.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.814 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.596 ' CZ ' ' HG2' ' A' ' 84' ' ' ARG . 9.0 m-85 -70.33 154.13 42.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.433 ' HA ' ' CD ' ' A' ' 13' ' ' GLN . 87.7 p -64.55 168.13 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -56.58 144.3 32.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.39 102.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.3 ttt -94.77 128.13 41.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -99.38 127.08 45.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 87.2 t -140.48 132.17 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -105.25 134.07 48.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 58.0 p -83.86 165.75 18.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -63.76 136.47 41.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -71.2 148.56 93.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.8 3.21 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.8 m -114.84 153.12 31.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 158.75 151.11 5.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.442 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 118.17 5.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.2 t -42.09 -51.14 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.4 t -59.38 -61.19 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -79.34 -56.18 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -160.3 158.53 29.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.37 48.62 0.1 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -108.46 160.25 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 t -74.16 160.66 30.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.07 -87.31 0.85 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -125.5 177.75 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.73 145.58 46.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.3 149.14 49.73 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.63 0.728 . . . . 0.0 111.063 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.533 ' HG3' HG23 ' A' ' 87' ' ' THR . 53.6 Cg_endo -69.72 170.07 17.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.266 . . . . 0.0 112.341 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -84.67 121.16 27.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -54.19 123.58 13.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.1 t -56.54 122.79 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.6 m -117.72 13.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.69 HG11 ' HG2' ' A' ' 32' ' ' GLN . 3.0 p -126.27 110.33 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.452 HD11 ' HB ' ' A' ' 83' ' ' VAL . 65.5 mt -142.02 144.25 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtp-105 -140.72 169.68 17.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.648 ' OE1' HG11 ' A' ' 100' ' ' VAL . 19.1 tt0 -117.85 105.02 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.456 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 4.5 mm-40 -64.59 -68.09 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 9.6 mtp-105 -132.89 135.69 45.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.3 103.01 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.64 -152.88 24.27 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -88.26 -51.95 5.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.6 p -117.9 17.72 14.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.3 p -147.83 141.65 25.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.6 t -143.78 135.51 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.5 t -99.38 155.54 17.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.7 mt -136.91 140.18 42.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.473 ' CD2' ' HG2' ' A' ' 67' ' ' ARG . 5.6 mt -120.47 126.04 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.542 ' CH2' HD11 ' A' ' 46' ' ' ILE . 33.2 p90 -145.35 131.39 19.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.69 ' HG2' HG11 ' A' ' 16' ' ' VAL . 8.0 pt20 -94.04 164.19 13.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -54.82 146.31 37.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 157.58 59.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.367 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -47.93 -54.8 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.412 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 23.1 mt-30 -129.74 103.58 17.45 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.584 0.707 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.9 Cg_endo -69.74 -28.05 25.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 52.6 44.28 30.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.34 -173.61 21.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mp -87.93 124.09 40.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.77 0.319 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.458 ' HA ' HG22 ' A' ' 87' ' ' THR . 18.4 mt -84.23 106.17 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.8 -60.79 2.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -158.72 159.18 34.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -96.47 114.43 26.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.79 117.42 23.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.6 HG12 HG22 ' A' ' 83' ' ' VAL . 18.0 mt -102.92 120.36 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -101.32 115.2 29.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 59' ' ' SER . 42.9 p90 -125.57 125.26 42.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.689 ' CE1' ' CG ' ' A' ' 54' ' ' GLU . 3.8 p90 -143.21 159.2 42.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.6 mt-10 -69.84 119.86 14.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -45.58 -48.84 14.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.76 -45.75 74.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -88.95 18.04 5.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.689 ' CG ' ' CE1' ' A' ' 49' ' ' TYR . 7.1 tm-20 -44.28 -35.71 2.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.483 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 20.2 mmt -79.79 -54.87 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' MET . 9.3 tp60 -33.18 -68.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -164.35 160.58 21.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -125.3 147.42 49.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.447 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 1.4 t -100.56 156.53 17.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.9 m -131.38 146.97 52.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.5 tp -138.13 151.98 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.17 134.99 54.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.51 132.05 38.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.6 m -89.09 -28.55 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.108 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.6 OUTLIER -103.37 172.71 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.434 ' N ' ' OG1' ' A' ' 65' ' ' THR . 42.7 p -80.53 11.31 3.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.473 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 35.8 mtm180 -135.62 127.47 29.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -143.91 165.58 27.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.2 m -140.27 110.78 6.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.519 HG21 ' CE1' ' A' ' 81' ' ' PHE . 81.4 t -74.07 115.0 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.154 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 t -116.47 157.74 24.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.36 40.47 6.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.489 HD22 ' CE1' ' A' ' 79' ' ' TYR . 12.2 mt -110.48 173.97 6.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.889 0.376 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mtmm -102.4 139.88 20.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 162.7 41.03 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.362 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 42.93 44.68 5.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.6 m -143.59 119.86 10.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 111.142 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -59.05 139.67 56.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.489 ' CE1' HD22 ' A' ' 73' ' ' LEU . 11.3 m-85 -129.09 158.88 37.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.484 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 27.6 t -128.91 113.98 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.519 ' CE1' HG21 ' A' ' 70' ' ' VAL . 95.5 m-85 -101.8 149.13 24.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -152.61 105.71 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.6 HG22 HG12 ' A' ' 46' ' ' ILE . 24.7 t -92.26 142.52 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.554 ' HD3' ' CZ ' ' A' ' 94' ' ' PHE . 22.9 ptt180 -145.84 147.05 31.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.48 131.48 46.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -123.2 123.61 41.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.533 HG23 ' HG3' ' A' ' 11' ' ' PRO . 72.8 p -109.98 152.03 26.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 87' ' ' THR . 94.3 p -34.82 -42.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.72 -60.64 3.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.061 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -164.87 -173.46 33.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 28.5 p -106.97 142.17 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.87 163.56 21.45 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.48 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -55.68 176.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.554 ' CZ ' ' HD3' ' A' ' 84' ' ' ARG . 6.5 m-85 -96.94 147.16 24.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.0 p -59.34 178.06 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -63.46 137.89 58.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.49 104.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.2 ttt -102.15 121.26 41.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -102.86 129.16 49.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.648 HG11 ' OE1' ' A' ' 19' ' ' GLN . 88.3 t -138.02 131.85 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -101.14 135.76 42.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 57.3 p -83.76 169.01 15.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -69.38 131.43 24.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 104' ' ' LYS . 0.2 OUTLIER -61.15 154.16 63.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.554 0.692 . . . . 0.0 110.878 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -11.18 30.3 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.724 2.283 . . . . 0.0 112.316 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.7 p -65.73 -41.1 92.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 152.29 172.29 20.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 85.9 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.379 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 82.9 p -132.8 120.69 21.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.4 p -72.79 -53.84 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.501 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -130.96 137.17 49.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.8 m -83.07 -60.91 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 167.91 62.49 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 63.9 p -37.06 -55.96 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t -69.85 108.18 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.84 -137.87 13.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -141.79 152.54 43.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.27 150.58 6.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.02 151.48 81.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.534 0.683 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 143.31 50.47 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -57.14 164.45 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' A' ' 94' ' ' PHE . 25.7 tt0 -93.3 129.76 39.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.451 ' O ' ' CB ' ' A' ' 95' ' ' SER . 90.9 t -68.8 115.8 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.8 m -116.89 15.95 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.554 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.9 p -126.14 109.12 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.6 mt -142.07 147.22 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -143.08 173.62 11.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -119.19 111.03 17.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 2.5 mm-40 -72.8 -60.17 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -139.26 135.65 34.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.07 111.43 21.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.43 -169.45 30.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.504 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -73.74 -55.52 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.1 p -114.92 17.24 17.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.0 p -143.87 150.78 38.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.6 t -151.47 137.6 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.1 t -105.66 152.71 22.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.515 HD11 ' CD2' ' A' ' 81' ' ' PHE . 16.6 mt -137.49 138.46 39.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' HG ' ' CG ' ' A' ' 20' ' ' GLU . 5.8 mt -117.37 126.63 53.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 30.5 p90 -145.52 131.71 19.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.554 ' CG ' HG11 ' A' ' 16' ' ' VAL . 1.6 pt20 -91.06 160.51 15.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -52.36 148.37 12.16 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.667 0.746 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.55 63.11 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.238 . . . . 0.0 112.34 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.54 -48.7 14.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -136.74 102.39 9.43 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -24.34 29.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 53.19 41.67 32.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.89 160.54 10.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.644 ' H ' HD12 ' A' ' 40' ' ' ILE . 5.3 mp -62.2 128.77 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 37.0 mt -91.89 106.98 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 mt -51.55 -57.9 7.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -156.88 171.94 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -112.05 124.93 53.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -90.7 126.95 36.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 60' ' ' THR . 19.0 mt -110.52 135.26 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -124.37 116.03 21.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.522 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 7.0 p90 -125.49 139.52 53.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.409 ' HB2' ' SD ' ' A' ' 55' ' ' MET . 10.4 p90 -153.37 173.04 16.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 54' ' ' GLU . 7.1 mt-10 -77.91 114.08 16.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.624 ' HB3' HG23 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -70.39 -26.87 63.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.31 -41.63 39.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -92.48 -50.96 5.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 50' ' ' GLU . 3.9 tt0 68.04 43.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.579 ' N ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -52.62 -179.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -88.67 -68.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 t -62.28 102.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.408 ' HA ' ' HE3' ' A' ' 55' ' ' MET . 38.1 p90 -98.01 154.44 17.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 m -96.14 133.54 40.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.802 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 46' ' ' ILE . 7.5 m -113.8 146.78 39.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.5 tp -126.99 133.2 50.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.71 127.42 45.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 68' ' ' ALA . . . -127.6 128.27 45.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.08 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 m -80.9 -34.35 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 t -98.94 173.56 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.4 p -78.61 8.65 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.44 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 73.3 mtt180 -129.88 119.53 23.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.411 ' HB2' ' CB ' ' A' ' 63' ' ' ALA . . . -139.29 154.52 47.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.1 m -130.6 108.58 10.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.504 HG13 ' CZ ' ' A' ' 48' ' ' TYR . 89.1 t -71.88 115.34 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.168 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 t -112.16 158.58 19.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.42 39.19 6.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.491 HD21 ' CD2' ' A' ' 48' ' ' TYR . 46.3 mt -107.05 174.32 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -101.49 139.05 20.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.563 0.697 . . . . 0.0 110.893 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 151.45 69.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.396 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.54 39.87 67.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.458 ' CG2' ' HG2' ' A' ' 50' ' ' GLU . 97.6 m -144.05 110.77 5.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.766 0.317 . . . . 0.0 111.111 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.2 mtt85 -57.06 148.58 21.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -137.57 132.23 32.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.624 HG23 ' HB3' ' A' ' 51' ' ' LYS . 46.8 t -94.31 102.19 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.522 ' CD2' ' HB3' ' A' ' 48' ' ' TYR . 88.7 m-85 -85.83 156.64 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -155.22 108.48 2.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.9 t -92.59 139.48 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.575 ' HD2' ' CE1' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -143.54 154.52 43.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.31 139.63 34.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -122.77 125.11 44.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.0 p -122.21 158.65 28.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 t -56.24 -44.81 79.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.807 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.82 -49.41 65.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.32 -129.49 1.12 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.0 p -149.81 168.93 22.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -114.75 -137.46 6.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -123.91 164.95 18.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.575 ' CE1' ' HD2' ' A' ' 84' ' ' ARG . 8.8 m-85 -82.32 140.31 33.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 39.7 p -57.61 178.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -65.11 138.58 58.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.67 102.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 6.8 ttt -94.46 130.13 40.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.28 123.88 47.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.1 t -141.61 138.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -110.56 150.93 28.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 73.6 p -97.64 170.13 9.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.11 117.16 10.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.468 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -53.7 149.41 16.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -41.11 4.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.646 2.231 . . . . 0.0 112.329 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.7 m -40.41 -50.36 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.779 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -128.35 -174.29 13.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.52 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 m -126.53 155.08 42.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.1 p -133.29 119.48 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.512 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.8 p -52.09 -48.43 64.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 m -93.65 149.06 21.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.77 -99.1 0.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -56.22 115.5 2.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.919 0.39 . . . . 0.0 110.839 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t -77.86 -44.26 27.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.804 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.64 -134.52 3.31 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.514 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 26.9 mp0 -137.1 126.12 24.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 0.0 110.889 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.18 127.38 28.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.36 140.89 97.79 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.545 0.688 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.01 36.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.313 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -70.54 141.63 51.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -75.89 119.03 19.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.8 t -56.68 119.29 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 m -114.06 16.16 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.57 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.7 p -126.44 108.2 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.41 HD12 ' HB3' ' A' ' 95' ' ' SER . 35.2 mt -140.31 123.82 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.507 ' HD2' HD23 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -137.53 170.77 15.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.721 ' OE1' HG11 ' A' ' 100' ' ' VAL . 12.9 tt0 -109.85 130.16 55.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.632 ' HG3' HD22 ' A' ' 30' ' ' LEU . 3.8 mt-10 -90.22 -41.9 11.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -157.74 129.4 6.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.87 128.81 49.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.48 178.1 19.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -71.36 -49.66 40.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.3 p -115.47 8.91 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.5 p -141.58 166.16 25.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.8 t -153.64 131.34 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.3 t -96.08 141.6 29.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.3 mt -115.52 166.33 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.632 HD22 ' HG3' ' A' ' 20' ' ' GLU . 14.0 tp -152.09 116.73 5.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.417 ' CD2' HG11 ' A' ' 83' ' ' VAL . 23.6 p90 -144.5 128.69 17.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.57 ' CG ' HG11 ' A' ' 16' ' ' VAL . 3.6 pt20 -91.12 165.11 13.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -52.08 147.61 12.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 174.83 8.93 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.743 2.295 . . . . 0.0 112.328 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -60.73 -45.35 94.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -147.73 101.97 3.69 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -19.69 36.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.267 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 56.1 42.89 27.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.58 -172.55 18.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp -81.94 129.35 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.538 HG23 ' O ' ' A' ' 86' ' ' ARG . 72.5 mt -92.67 121.71 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.51 -61.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -159.87 164.83 33.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 85' ' ' ALA . 45.7 m-85 -105.14 117.57 34.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.407 ' CD ' ' HG3' ' A' ' 62' ' ' LYS . 4.2 mm-40 -86.35 156.54 20.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.457 HG12 HG22 ' A' ' 83' ' ' VAL . 9.3 mt -135.43 126.31 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -103.19 117.37 34.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -130.23 129.68 43.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -153.07 157.77 40.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.466 ' CB ' ' HB2' ' A' ' 53' ' ' LYS . 3.5 mt-10 -57.38 118.76 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -62.57 -38.6 90.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' C ' ' HG2' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -86.82 10.89 14.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.466 ' HB2' ' CB ' ' A' ' 50' ' ' GLU . 55.7 mmtt -147.56 177.89 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -157.96 109.5 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.83 135.15 34.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -42.07 -38.04 1.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 t -119.04 102.26 8.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -65.8 154.92 37.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.5 m -95.08 127.24 40.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.8 m -114.9 148.98 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.4 tp -127.64 130.78 49.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.407 ' HG3' ' CD ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -90.15 128.6 36.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.821 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.03 131.69 52.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.094 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.9 m -88.48 -32.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 67' ' ' ARG . 1.6 t -97.59 168.75 10.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.2 p -79.85 12.96 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.455 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 54.1 mtt180 -146.81 118.06 7.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.58 165.88 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.8 m -133.77 108.44 8.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.8 t -72.4 106.63 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.7 t -102.54 160.53 14.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.73 42.31 5.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.445 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.413 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 12.9 mt -113.9 173.98 6.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -104.42 143.39 26.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.71 . . . . 0.0 110.896 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 160.61 49.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.63 52.68 9.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 m -154.95 112.74 3.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.746 0.308 . . . . 0.0 111.17 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -56.91 139.37 51.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.413 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 21.2 m-85 -129.89 128.81 42.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.6 t -91.24 115.35 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.164 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.53 151.01 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -156.97 113.07 2.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.457 HG22 HG12 ' A' ' 46' ' ' ILE . 88.0 t -98.34 154.25 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.437 ' N ' HG12 ' A' ' 83' ' ' VAL . 16.4 ptt180 -157.26 157.47 34.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.56 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . . . -103.77 152.04 22.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.538 ' O ' HG23 ' A' ' 41' ' ' ILE . 13.9 tpt180 -136.05 137.28 40.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.2 p -124.48 166.82 15.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.7 p -63.33 -35.99 82.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.514 ' HB1' ' HB3' ' A' ' 8' ' ' GLN . . . -65.03 -55.72 17.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.98 -155.11 7.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.437 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 45.8 t -131.16 151.86 51.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.32 -128.41 4.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -142.8 169.78 16.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -84.6 134.39 34.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.41 ' HB3' HD12 ' A' ' 17' ' ' ILE . 18.4 t -61.75 172.16 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -52.18 140.5 20.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.73 116.18 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.9 ttt -102.07 145.11 29.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -113.69 125.48 54.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.721 HG11 ' OE1' ' A' ' 19' ' ' GLN . 86.1 t -140.21 131.69 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -104.0 147.17 27.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.2 p -97.75 167.13 11.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.173 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -66.73 127.48 28.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -59.35 155.32 37.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.581 0.705 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 2.76 3.28 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -114.76 145.46 42.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -113.22 -173.83 18.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.453 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 100.7 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.689 2.259 . . . . 0.0 112.365 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 78.8 p -45.37 -46.08 12.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.7 m 58.59 42.08 21.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m -91.72 155.2 18.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.351 . . . . 0.0 110.872 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 t -75.24 -61.04 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.9 76.29 0.31 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 m -40.05 -61.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.845 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 p -57.65 155.73 9.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.68 -106.16 0.41 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -131.5 157.55 43.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.1 147.88 40.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.45 152.58 32.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.702 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.32 2.82 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.643 2.228 . . . . 0.0 112.366 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -94.36 177.02 6.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.438 ' CD ' ' O ' ' A' ' 94' ' ' PHE . 9.1 tt0 -108.01 130.13 55.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.499 HG23 ' HB3' ' A' ' 95' ' ' SER . 36.0 m -68.47 121.59 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.6 m -104.92 16.43 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.988 HG11 ' NE2' ' A' ' 32' ' ' GLN . 58.1 t -128.2 111.6 24.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.452 ' CD1' ' OG ' ' A' ' 95' ' ' SER . 13.1 mt -141.36 139.62 32.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 mtp-105 -137.46 174.94 10.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -119.65 106.54 12.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 8.0 mm-40 -70.07 -47.08 63.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.442 ' CG ' ' HB3' ' A' ' 28' ' ' SER . 11.2 ptt180 -154.76 162.35 41.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -153.5 103.5 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.82 -137.97 3.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.457 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -95.35 -51.51 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.9 p -116.91 15.94 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.4 p -144.98 150.84 37.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.8 t -150.7 132.92 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.442 ' HB3' ' CG ' ' A' ' 21' ' ' ARG . 13.4 t -91.83 150.61 20.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.568 HD11 ' CD1' ' A' ' 81' ' ' PHE . 84.4 mt -130.91 154.5 48.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 30' ' ' LEU . 3.0 mt -139.11 114.86 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CG ' HG11 ' A' ' 83' ' ' VAL . 42.8 p90 -127.21 164.99 20.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.988 ' NE2' HG11 ' A' ' 16' ' ' VAL . 71.0 mt-30 -110.19 174.7 5.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.34 148.0 88.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.653 0.739 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' GLU . 54.2 Cg_endo -69.71 137.66 36.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' PRO . 23.4 mt-10 -34.31 -60.22 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -131.18 102.0 16.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.729 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -25.35 28.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.359 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 56.55 42.5 27.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.06 -172.01 23.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.83 134.42 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.495 ' HA ' HG22 ' A' ' 87' ' ' THR . 70.9 mt -94.25 126.63 46.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.79 -50.56 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -167.32 161.84 14.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -99.78 132.78 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -101.34 120.05 39.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.5 mt -101.8 119.63 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -101.38 119.85 39.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.567 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 22.4 p90 -133.09 127.2 33.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.525 ' CE1' ' HG3' ' A' ' 54' ' ' GLU . 20.4 p90 -141.03 165.16 28.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.18 108.8 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.54 ' HA ' HG23 ' A' ' 80' ' ' VAL . 18.1 tptp -47.57 -54.59 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.77 -41.54 78.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -103.58 102.7 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.525 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 38.5 tt0 -105.22 102.28 11.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.58 162.23 14.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -52.76 -59.71 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.8 m -63.36 120.84 12.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -124.06 151.46 43.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -96.62 130.04 43.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.0 m -118.2 146.55 44.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.1 tp -114.81 158.61 21.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -117.73 128.05 54.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.98 131.33 37.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.046 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.7 m -82.05 -24.08 9.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 67' ' ' ARG . 5.4 t -116.16 166.81 11.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.507 ' HA ' ' CE2' ' A' ' 31' ' ' TRP . 76.4 p -66.92 -2.9 5.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 65' ' ' THR . 47.8 mtt85 -115.39 127.75 55.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.52 157.46 43.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.2 m -127.43 106.97 9.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.413 HG13 ' CE2' ' A' ' 48' ' ' TYR . 87.6 t -73.06 120.47 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.0 t -122.04 159.2 27.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.52 37.91 7.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.3 mt -107.11 175.57 5.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.876 0.369 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -102.57 140.19 20.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.549 0.69 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 158.72 55.9 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.323 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.37 42.24 13.02 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.536 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 93.4 m -144.41 121.72 11.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 111.184 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 -66.96 142.76 57.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -134.87 130.86 36.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.54 HG23 ' HA ' ' A' ' 51' ' ' LYS . 40.1 t -89.7 107.01 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CD1' HD11 ' A' ' 29' ' ' LEU . 93.9 m-85 -88.3 147.49 24.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 95' ' ' SER . 15.0 mm100 -150.66 113.81 4.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.579 HG11 ' CG ' ' A' ' 31' ' ' TRP . 63.7 t -93.42 139.6 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.441 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -139.42 154.93 47.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.16 117.86 35.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -101.99 123.61 46.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.495 HG22 ' HA ' ' A' ' 41' ' ' ILE . 25.4 p -120.67 144.2 48.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 87' ' ' THR . 30.0 t -34.21 -49.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.55 -61.38 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.89 -156.07 8.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.546 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 72.9 m -117.08 157.24 26.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.833 0.349 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -111.26 177.48 19.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -73.23 162.59 29.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 84' ' ' ARG . 5.8 m-85 -84.67 144.18 28.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.499 ' HB3' HG23 ' A' ' 14' ' ' VAL . 96.6 p -58.08 174.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -55.73 135.2 51.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.03 102.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.446 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 0.9 OUTLIER -85.03 145.11 27.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 98' ' ' MET . 43.5 mt-10 -124.85 124.06 41.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 86.5 t -147.36 148.81 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -117.34 134.75 54.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.5 p -78.08 170.36 16.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.14 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.04 118.05 4.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -54.98 155.99 7.58 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.559 0.695 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -39.08 6.9 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.313 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 99.7 p -115.54 147.29 40.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 106.4 -174.03 20.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -176.51 1.53 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.4 t -109.88 127.06 54.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.5 t -74.19 -44.23 54.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.503 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.436 -0.265 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -96.15 142.87 27.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.7 m -49.33 -50.16 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.15 45.32 82.69 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.52 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 p 52.03 39.75 26.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 110.884 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -50.37 -61.2 2.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.38 -151.15 5.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -56.88 108.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -143.27 141.97 31.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 143.06 97.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 157.27 60.97 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.319 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 t -67.63 131.15 45.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.441 ' CD ' ' O ' ' A' ' 94' ' ' PHE . 8.2 tt0 -64.06 126.25 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 95' ' ' SER . 89.8 t -60.75 112.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.36 17.92 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.453 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.7 p -129.74 105.19 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.1 mt -142.31 135.7 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -132.57 174.81 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -119.3 109.57 15.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 5.5 mm-40 -70.37 -55.54 8.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 21' ' ' ARG . 40.1 mtm105 -148.88 144.83 27.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.05 120.81 31.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.55 -165.15 16.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.4 -62.49 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 p -117.97 17.88 14.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.411 ' C ' HG23 ' A' ' 27' ' ' VAL . 46.6 p -129.6 152.55 49.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.411 HG23 ' C ' ' A' ' 26' ' ' SER . 97.7 t -157.53 143.6 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -118.17 139.78 50.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.496 HD11 ' CD1' ' A' ' 81' ' ' PHE . 44.2 mt -125.5 133.47 52.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' A' ' 30' ' ' LEU . 6.1 mt -113.38 126.93 55.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 24.5 p90 -145.64 131.42 19.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' CG ' HG11 ' A' ' 16' ' ' VAL . 7.6 pt20 -91.37 160.42 15.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.08 139.42 34.24 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.671 0.748 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.1 Cg_endo -69.82 149.81 67.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 34' ' ' PRO . 24.2 mt-10 -37.19 -64.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -125.09 102.28 31.15 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.739 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -12.54 33.06 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.738 2.292 . . . . 0.0 112.335 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 55.1 43.81 28.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.71 -178.68 16.43 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.518 ' H ' HD12 ' A' ' 40' ' ' ILE . 5.4 mp -74.74 126.24 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 111.152 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.4 mt -86.92 120.29 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.11 -63.35 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -154.14 159.92 41.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -99.58 128.59 45.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 84' ' ' ARG . 0.7 OUTLIER -94.72 134.26 37.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.436 HG12 HG22 ' A' ' 83' ' ' VAL . 11.5 mt -122.94 107.98 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -99.99 123.33 44.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.553 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 18.8 p90 -131.61 141.56 49.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.542 ' CE1' ' HG3' ' A' ' 54' ' ' GLU . 11.9 p90 -153.39 156.64 38.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.498 ' HG2' HG21 ' A' ' 77' ' ' THR . 4.3 mt-10 -53.29 109.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -49.61 -52.14 32.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -71.86 -41.93 67.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -101.7 106.95 18.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.542 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 5.1 mp0 -99.66 105.22 17.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 55' ' ' MET . 3.6 mpp? -102.88 143.67 32.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -48.29 -41.25 27.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.0 p -86.08 123.53 31.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -114.66 154.1 29.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.525 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 44.0 m -96.18 124.73 40.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.467 ' CG2' ' HG3' ' A' ' 45' ' ' GLU . 22.3 m -106.87 153.22 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 tp -139.46 129.28 24.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.94 132.87 40.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.39 129.6 37.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.7 m -84.72 -36.05 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 t -93.07 170.04 9.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.5 p -80.92 16.23 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.478 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 54.8 mtt180 -138.74 119.24 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.18 155.08 47.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.2 m -131.88 102.91 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.661 HG21 ' HE1' ' A' ' 81' ' ' PHE . 58.3 t -71.23 118.02 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.6 m -121.24 151.51 39.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.9 39.11 4.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.1 mt -106.66 177.9 4.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -98.02 134.74 21.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.884 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 153.95 68.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.748 2.299 . . . . 0.0 112.338 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.29 46.23 51.98 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.455 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.498 HG21 ' HG2' ' A' ' 50' ' ' GLU . 85.3 m -150.58 114.46 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.708 0.289 . . . . 0.0 111.184 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.441 ' NH1' ' OE1' ' A' ' 99' ' ' GLU . 31.7 mtt180 -58.01 145.99 34.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -134.46 147.07 50.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.4 t -107.49 107.99 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.661 ' HE1' HG21 ' A' ' 70' ' ' VAL . 84.5 m-85 -92.76 153.07 19.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -154.43 112.72 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.436 HG22 HG12 ' A' ' 46' ' ' ILE . 51.1 t -100.52 146.61 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.621 ' HG2' ' CE1' ' A' ' 94' ' ' PHE . 6.0 ppt_? -153.83 154.67 34.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -105.96 139.22 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.426 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 6.1 ttt85 -117.95 115.81 25.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 88' ' ' SER . 37.8 p -109.07 136.93 47.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 87' ' ' THR . 48.6 p -34.6 -42.88 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.74 -60.81 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -156.51 -154.65 7.1 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.498 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 13.9 m -131.11 142.64 50.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.368 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -104.68 153.45 17.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -54.53 176.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.621 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 9.7 m-85 -92.67 139.97 30.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 55.6 p -51.95 168.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -52.08 145.12 10.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.44 105.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 1.9 tpt -86.39 145.17 26.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 98' ' ' MET . 31.1 mt-10 -122.55 125.49 45.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.6 t -141.44 132.95 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -106.89 133.87 50.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.9 p -82.2 174.32 11.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -86.82 129.97 9.74 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -62.34 153.83 74.21 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.565 0.697 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 106' ' ' SER . 53.7 Cg_endo -69.72 0.9 4.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 105' ' ' PRO . 61.4 m -34.66 -50.95 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.96 151.42 7.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 153.1 69.31 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.373 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.1 p 52.26 38.36 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 98.5 p -83.35 -44.27 15.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.2 m -132.65 139.61 47.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.843 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 m -118.08 163.27 16.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.82 71.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 p -42.42 -55.51 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 t -63.31 145.18 56.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.17 -154.69 8.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -136.88 138.96 41.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.96 162.29 24.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.04 148.42 67.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.572 0.701 . . . . 0.0 111.062 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 168.87 20.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.226 . . . . 0.0 112.367 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -70.6 177.65 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -109.71 117.64 34.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.14 113.34 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -110.7 17.0 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.1 t -120.64 105.16 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 68.3 mt -141.02 132.99 29.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' LEU . 11.4 mtp180 -141.27 151.85 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.52 119.2 38.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -76.15 -54.85 6.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -149.72 137.22 19.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.96 102.07 11.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.88 -171.84 43.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -69.48 -56.51 7.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.3 p -117.8 16.09 14.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.2 p -145.25 150.12 36.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.0 t -142.87 145.98 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.9 t -103.44 156.01 18.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.4 HD11 ' CD2' ' A' ' 81' ' ' PHE . 44.1 mt -135.54 153.55 51.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' ARG . 4.8 mt -137.44 120.44 16.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.658 ' CH2' HD11 ' A' ' 46' ' ' ILE . 17.3 p90 -145.3 140.93 28.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -92.44 173.77 7.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.91 148.26 98.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.75 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' GLU . 54.3 Cg_endo -69.68 142.0 47.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.277 . . . . 0.0 112.399 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' PRO . 31.5 mt-10 -36.32 -65.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -128.4 102.46 20.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -21.63 32.95 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 57.16 40.68 28.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.51 -147.78 19.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.549 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.494 ' O ' HG22 ' A' ' 87' ' ' THR . 16.6 mm -111.58 143.12 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mt -107.09 118.91 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.86 -50.15 63.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -162.7 155.08 18.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.545 ' CE1' ' HB2' ' A' ' 85' ' ' ALA . 49.1 m-85 -96.31 111.53 23.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.19 131.51 38.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.702 HG12 HG22 ' A' ' 83' ' ' VAL . 23.6 mt -117.08 124.75 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -101.36 118.25 36.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -127.91 122.27 32.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 54' ' ' GLU . 31.9 p90 -137.2 158.25 44.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.555 ' HG3' ' CE1' ' A' ' 79' ' ' TYR . 3.8 mt-10 -71.3 104.89 3.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 50' ' ' GLU . 35.7 tptt -32.97 -43.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -74.88 -43.08 56.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 50' ' ' GLU . 10.3 mmmt -92.13 17.97 8.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.568 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 55.2 tt0 -41.54 -45.95 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.443 ' CE ' ' H ' ' A' ' 55' ' ' MET . 1.4 pmm? -74.75 -24.68 58.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 53' ' ' LYS . 9.6 tp60 -56.82 -67.04 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.7 t -166.53 159.65 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -125.67 137.11 53.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.0 m -103.83 152.0 22.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.8 m -121.65 146.27 47.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.453 ' HG ' ' N ' ' A' ' 62' ' ' LYS . 6.3 tp -136.56 150.31 48.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.453 ' N ' ' HG ' ' A' ' 61' ' ' LEU . 7.8 mptt -110.1 133.24 53.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.51 133.83 46.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -92.05 -32.59 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -100.36 172.2 7.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.434 ' N ' ' OG1' ' A' ' 65' ' ' THR . 32.5 p -80.36 13.54 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -142.96 118.17 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.49 158.39 43.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.5 m -129.0 104.53 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.23 120.62 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.5 p -113.99 159.24 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.53 44.37 5.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.475 HD22 ' CE1' ' A' ' 79' ' ' TYR . 16.6 mt -113.02 173.6 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' HE3' ' CD ' ' A' ' 50' ' ' GLU . 9.2 mtmm -108.42 142.82 26.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 161.51 45.63 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.51 53.3 7.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.468 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.474 HG21 ' HG2' ' A' ' 50' ' ' GLU . 89.4 m -155.12 120.31 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.75 0.309 . . . . 0.0 111.137 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.5 mtt-85 -60.07 142.88 53.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 50' ' ' GLU . 15.6 m-85 -134.24 141.14 46.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.541 ' HB ' ' CZ ' ' A' ' 49' ' ' TYR . 17.4 t -111.13 114.65 47.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.4 ' CD2' HD11 ' A' ' 29' ' ' LEU . 49.0 m-85 -99.36 151.47 21.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -152.58 105.97 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.702 HG22 HG12 ' A' ' 46' ' ' ILE . 40.1 t -89.42 149.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -156.23 154.98 31.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.545 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . . . -99.32 142.41 30.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -126.49 136.0 52.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 40' ' ' ILE . 81.4 p -128.08 151.2 49.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.7 p -43.01 -36.83 1.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.79 -63.31 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -156.56 -161.93 11.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.35 142.22 50.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.43 162.51 28.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -65.16 148.56 51.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -67.23 170.86 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -94.8 175.81 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -53.76 139.04 34.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.36 104.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.477 ' O ' HG13 ' A' ' 80' ' ' VAL . 4.5 ttp -83.11 156.37 23.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -124.48 123.95 41.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.2 t -145.9 131.85 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -104.63 146.9 28.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.2 p -91.75 178.0 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.37 118.18 5.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -52.2 147.88 12.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -23.39 30.65 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.7 m -55.09 -62.37 1.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 127.71 -175.6 18.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 89.05 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.0 m -85.17 176.02 8.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.5 t -117.42 172.83 7.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 m -68.21 -46.53 70.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.388 . . . . 0.0 110.877 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -96.19 171.4 8.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.62 92.21 0.17 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -82.13 134.58 35.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -59.04 156.31 12.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.46 109.9 0.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -56.69 158.61 4.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.886 ' HB3' ' OD1' ' A' ' 38' ' ' ASN . . . -66.81 134.21 51.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -52.13 160.51 1.2 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.534 0.683 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 53.5 Cg_endo -69.73 -164.86 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.5 t -107.3 170.92 7.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -103.94 112.51 25.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -53.51 127.15 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.3 m -115.84 17.55 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 31' ' ' TRP . 87.1 t -128.2 109.04 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.9 mt -141.28 140.77 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 30' ' ' LEU . 55.3 mtt180 -139.4 171.46 14.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -118.82 104.92 11.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 6.7 mm-40 -68.31 -46.25 70.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' CG ' ' HB3' ' A' ' 28' ' ' SER . 11.0 ptt85 -152.14 148.78 28.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.84 118.43 19.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.27 -156.54 11.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -74.24 -66.61 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 p -111.04 17.35 20.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 p -136.86 147.01 46.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.3 t -152.61 128.14 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.437 ' HB3' ' CG ' ' A' ' 21' ' ' ARG . 37.4 t -98.36 137.35 37.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 30' ' ' LEU . 82.5 mt -121.24 160.5 23.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.55 ' CD2' ' HG3' ' A' ' 67' ' ' ARG . 4.6 mt -141.83 122.55 14.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.403 ' HB2' ' O ' ' A' ' 16' ' ' VAL . 37.9 p90 -139.65 140.03 36.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -90.94 166.65 12.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -52.72 144.94 23.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.657 0.742 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.429 ' HG3' ' CD1' ' A' ' 41' ' ' ILE . 53.8 Cg_endo -69.75 -164.72 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -132.88 116.22 16.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.55 ' N ' ' CD ' ' A' ' 37' ' ' PRO . 15.5 mt-30 67.98 48.03 0.41 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 53.6 Cg_endo -69.8 5.43 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.886 ' OD1' ' HB3' ' A' ' 9' ' ' ALA . 3.2 m-80 57.85 36.1 26.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.39 -179.91 16.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 40' ' ' ILE . 5.2 mp -71.87 149.84 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.429 ' CD1' ' HG3' ' A' ' 34' ' ' PRO . 16.2 mt -106.84 120.02 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.5 mt -56.68 -61.16 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' CD ' ' HD2' ' A' ' 62' ' ' LYS . 12.9 pt-20 -147.23 174.54 11.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -119.04 143.01 47.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -105.64 140.37 38.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.9 mt -123.02 117.28 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -108.87 121.48 45.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.447 ' CD2' HD21 ' A' ' 73' ' ' LEU . 2.2 p90 -127.46 130.07 48.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 4.0 p90 -137.74 165.72 25.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.15 112.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.442 ' HA ' HG23 ' A' ' 80' ' ' VAL . 19.6 tptp -49.82 -52.95 28.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -70.04 -42.43 72.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -102.55 105.7 16.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -95.57 153.28 17.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 12.7 mmt 63.24 32.0 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -98.0 -68.55 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.4 p -157.05 103.81 2.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.499 ' HE1' HG23 ' A' ' 60' ' ' THR . 2.0 p90 -102.29 143.99 31.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 48' ' ' TYR . 58.6 m -125.78 138.8 53.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.85 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.499 HG23 ' HE1' ' A' ' 58' ' ' TYR . 17.9 p -104.21 127.16 51.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.167 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.0 tp -111.54 126.85 55.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.417 ' HD2' ' CD ' ' A' ' 43' ' ' GLU . 25.1 mmtp -94.29 124.86 38.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -131.13 128.2 39.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.4 m -77.82 -35.66 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.437 ' C ' ' H ' ' A' ' 67' ' ' ARG . 5.1 t -99.07 157.4 16.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.2 p -61.25 -2.14 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.55 ' HG3' ' CD2' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -111.0 128.13 55.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.02 151.33 33.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 93.0 m -129.22 120.76 26.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.429 HG13 ' CZ ' ' A' ' 48' ' ' TYR . 97.7 t -82.94 113.68 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.6 p -112.56 161.73 16.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.19 39.83 8.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.443 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.447 HD21 ' CD2' ' A' ' 48' ' ' TYR . 23.8 mt -107.96 169.15 8.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.362 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -92.33 135.04 27.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 145.23 56.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.338 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.37 49.97 68.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.0 m -151.64 112.66 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 111.148 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -54.28 137.19 41.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -129.09 151.84 49.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.442 HG23 ' HA ' ' A' ' 51' ' ' LYS . 61.8 t -113.15 105.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.404 ' CE1' HG21 ' A' ' 70' ' ' VAL . 97.8 m-85 -88.01 148.3 24.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -148.4 106.22 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.4 t -93.23 144.59 9.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.407 ' NH1' ' O ' ' A' ' 85' ' ' ALA . 15.3 ptt85 -151.8 156.95 41.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.407 ' O ' ' NH1' ' A' ' 84' ' ' ARG . . . -98.44 148.04 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -129.73 113.37 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 38.2 p -103.54 163.68 12.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.8 p -51.87 -44.72 63.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.3 -59.73 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.32 -134.96 1.78 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 74.1 m -135.11 148.04 49.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.34 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.8 -146.76 21.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -107.94 157.67 18.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.94 142.52 40.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.0 p -60.93 175.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -59.06 138.16 57.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.87 113.45 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.1 ttt -101.37 146.11 28.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -116.01 124.67 51.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 94.5 t -139.13 140.13 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -110.6 131.41 55.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.2 p -79.07 177.78 8.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.99 123.09 6.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.529 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -61.59 152.72 73.58 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.827 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 158.35 57.2 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.371 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.2 m 57.23 43.34 23.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -113.57 -160.45 13.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 90.67 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.735 2.29 . . . . 0.0 112.329 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.6 t -96.98 -46.33 6.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 74.0 m -126.4 143.33 51.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -71.17 119.42 15.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -51.56 -46.49 63.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.02 73.14 0.89 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -99.58 159.17 15.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.389 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 t -104.6 123.5 47.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.69 -146.82 18.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -103.46 168.96 8.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.344 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.37 160.83 22.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -76.03 155.78 84.41 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.552 0.692 . . . . 0.0 111.072 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.517 ' HG3' HG23 ' A' ' 87' ' ' THR . 54.0 Cg_endo -69.77 161.13 47.11 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.694 2.262 . . . . 0.0 112.378 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -69.67 174.45 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' OE1' ' HB3' ' A' ' 93' ' ' ARG . 10.2 tt0 -105.31 116.11 31.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 95' ' ' SER . 87.5 t -52.79 120.33 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.5 m -117.89 17.81 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.614 HG11 ' CG ' ' A' ' 32' ' ' GLN . 3.0 p -128.22 113.68 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.574 HG21 ' SD ' ' A' ' 98' ' ' MET . 65.5 mt -142.21 147.65 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -143.8 163.32 33.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -111.85 114.57 27.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 6.3 mm-40 -78.96 -62.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -153.65 118.93 5.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' HA ' HG23 ' A' ' 27' ' ' VAL . . . -96.81 102.04 13.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 26' ' ' SER . . . -71.54 177.07 37.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.443 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -60.23 -54.88 40.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.891 0.377 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.7 p -111.83 14.83 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' GLY . 39.2 p -153.41 174.21 14.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.676 HG13 ' HB ' ' A' ' 70' ' ' VAL . 2.5 p -163.96 157.85 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.5 ' N ' HG22 ' A' ' 27' ' ' VAL . 37.4 t -120.38 136.62 54.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.9 mt -115.56 165.66 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 67' ' ' ARG . 5.8 mt -142.32 122.99 14.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -145.72 133.53 21.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.614 ' CG ' HG11 ' A' ' 16' ' ' VAL . 2.7 pt20 -91.69 160.73 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -52.04 148.75 10.43 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 157.87 58.97 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.718 2.278 . . . . 0.0 112.33 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -46.11 -51.2 14.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -140.49 102.02 6.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -19.4 36.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.746 2.297 . . . . 0.0 112.348 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 52.08 42.54 30.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.22 -163.07 25.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.441 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.467 HD12 ' N ' ' A' ' 40' ' ' ILE . 4.7 mp -98.21 130.67 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 111.093 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.519 ' HA ' HG22 ' A' ' 87' ' ' THR . 19.1 mt -92.01 121.41 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.75 -52.77 58.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -167.2 158.27 11.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.441 ' OH ' HD13 ' A' ' 41' ' ' ILE . 37.0 m-85 -98.43 117.4 32.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -84.35 132.59 34.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.2 mt -120.54 111.15 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.504 ' HE3' ' CG ' ' A' ' 58' ' ' TYR . 55.0 tttt -99.83 119.09 37.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.575 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 30.9 p90 -128.9 124.86 36.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 6.5 p90 -132.48 156.68 46.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.558 ' HG3' ' CE1' ' A' ' 79' ' ' TYR . 4.5 mt-10 -53.59 105.48 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HD3' HG22 ' A' ' 80' ' ' VAL . 22.1 tptp -46.64 -50.36 17.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.62 -42.21 64.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -103.14 107.14 17.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -86.36 102.11 13.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.7 mtm -88.0 138.84 31.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -50.36 -51.8 42.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 t -97.26 113.13 24.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.504 ' CG ' ' HE3' ' A' ' 47' ' ' LYS . 11.9 p90 -89.02 154.02 20.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.7 m -96.14 129.51 43.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.3 p -108.98 158.45 17.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.5 tp -130.85 126.85 37.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.43 120.48 32.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.53 128.39 46.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.5 m -82.74 -32.55 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.541 HG23 ' H ' ' A' ' 67' ' ' ARG . 9.7 t -98.44 169.78 9.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.9 p -76.94 5.54 7.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.541 ' H ' HG23 ' A' ' 65' ' ' THR . 61.0 mtt85 -131.97 119.46 21.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.95 154.26 49.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.2 m -116.62 105.89 12.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.836 HG21 ' CE1' ' A' ' 81' ' ' PHE . 53.6 t -67.7 114.45 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 t -119.5 153.02 35.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.71 55.02 2.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.69 HD11 HG12 ' A' ' 70' ' ' VAL . 7.7 mt -126.47 176.71 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 110.913 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -103.99 140.85 21.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.607 0.718 . . . . 0.0 110.834 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 137.3 35.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.396 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.401 ' CA ' ' HG2' ' A' ' 104' ' ' LYS . . . 61.88 50.19 68.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.499 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.8 m -148.96 113.27 5.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.35 . . . . 0.0 111.109 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -55.97 145.36 25.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CE1' ' HG3' ' A' ' 50' ' ' GLU . 24.9 m-85 -140.1 131.45 26.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.426 HG22 ' HD3' ' A' ' 51' ' ' LYS . 60.7 t -89.64 112.67 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.836 ' CE1' HG21 ' A' ' 70' ' ' VAL . 71.6 m-85 -96.72 145.09 26.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 96' ' ' GLN . 12.7 mm100 -147.43 111.98 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.95 151.18 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.452 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -145.95 171.97 14.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.05 120.33 23.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.7 ttp85 -117.22 131.93 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.519 HG22 ' HA ' ' A' ' 41' ' ' ILE . 60.9 p -121.07 163.24 18.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.3 p -54.19 -41.25 68.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.92 -60.18 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.53 -165.81 13.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.401 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 2.0 t -122.82 160.37 26.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -107.13 -157.02 20.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.478 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.401 ' HB3' ' OE1' ' A' ' 13' ' ' GLN . 26.4 mtp180 -113.18 177.67 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 84' ' ' ARG . 4.3 m-85 -92.9 134.3 35.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 10.4 t -59.35 174.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.406 ' O ' ' OE1' ' A' ' 82' ' ' GLN . 24.4 mt-30 -54.93 139.23 41.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.03 102.93 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.574 ' SD ' HG21 ' A' ' 17' ' ' ILE . 12.6 ttt -86.91 142.02 28.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.414 ' OE2' ' CE ' ' A' ' 51' ' ' LYS . 85.6 mt-10 -120.35 123.42 43.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 75.9 t -141.23 131.98 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -104.73 118.73 37.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.5 p -52.06 179.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.91 110.87 3.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.401 ' HG2' ' CA ' ' A' ' 76' ' ' GLY . 28.3 mtmt -61.1 150.23 79.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 2.47 3.51 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.4 m -48.27 -48.35 35.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 148.93 179.68 25.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 179.05 3.93 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.272 . . . . 0.0 112.375 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.7 t -147.73 147.46 29.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.0 m -121.68 117.41 26.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 m -81.61 15.19 2.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 m -72.9 -54.71 8.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.15 83.68 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t -86.37 149.17 25.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -149.06 114.85 5.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.78 -118.85 0.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -99.46 164.74 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 110.915 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.8 146.07 53.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.01 152.19 51.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 157.93 58.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.253 . . . . 0.0 112.295 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t -66.49 135.54 54.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.437 ' CD ' ' O ' ' A' ' 94' ' ' PHE . 12.4 tt0 -67.08 113.96 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.3 t -53.72 121.35 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 m -116.06 17.92 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.506 HG11 ' HG2' ' A' ' 32' ' ' GLN . 2.8 p -128.47 111.82 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.3 mt -142.11 137.6 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -132.61 153.61 50.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -101.39 108.94 20.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 3.5 mm-40 -67.17 -61.75 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 23.1 mtm180 -156.85 138.44 14.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.78 106.08 16.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.84 176.0 22.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -56.6 132.72 52.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 72' ' ' GLY . 12.2 p 39.73 31.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.435 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -155.16 158.22 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.805 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.436 HG11 ' CE2' ' A' ' 81' ' ' PHE . 72.7 t -157.66 131.37 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 t -100.72 132.3 46.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.1 mt -115.93 156.53 26.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.415 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 7.2 tp -141.35 111.01 6.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.465 ' CH2' HD11 ' A' ' 46' ' ' ILE . 40.0 p90 -132.05 135.74 46.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.506 ' HG2' HG11 ' A' ' 16' ' ' VAL . 7.4 pt20 -91.25 160.14 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -52.51 143.94 25.86 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.7 0.762 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -178.2 2.22 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -73.6 -66.67 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 27.2 mp0 -111.8 102.02 52.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.6 Cg_endo -69.75 -23.77 30.46 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 52.59 46.09 27.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.53 -169.99 16.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mp -86.95 127.22 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.5 mt -89.44 102.38 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.1 mt -53.6 -57.77 9.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -156.84 173.2 17.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -108.1 156.44 19.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.499 ' HG2' ' CG2' ' A' ' 60' ' ' THR . 4.0 tt0 -120.31 129.52 54.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.59 HG12 HG22 ' A' ' 83' ' ' VAL . 17.2 mt -117.45 120.17 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.474 ' HZ3' ' HE2' ' A' ' 49' ' ' TYR . 27.0 tttm -104.43 123.3 47.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.451 ' CE1' ' HB2' ' A' ' 59' ' ' SER . 45.5 p90 -131.52 135.94 47.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.474 ' HE2' ' HZ3' ' A' ' 47' ' ' LYS . 6.9 p90 -153.36 155.58 36.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 4.3 mt-10 -52.63 109.93 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -50.96 -51.74 49.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.968 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -72.34 -41.64 66.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 50' ' ' GLU . 43.4 mmtt -103.24 109.5 21.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -93.41 102.08 14.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 17.5 mtm -90.71 145.43 24.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -58.97 -42.95 91.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.9 p -94.65 103.66 15.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -92.82 154.09 18.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.451 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 33.1 m -96.02 136.28 36.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.499 ' CG2' ' HG2' ' A' ' 45' ' ' GLU . 4.5 m -117.31 147.51 42.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.545 HD22 HG22 ' A' ' 70' ' ' VAL . 21.1 tp -129.01 126.64 39.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -90.6 146.02 24.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.99 131.42 19.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.0 m -83.45 -37.04 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.595 HG23 ' H ' ' A' ' 67' ' ' ARG . 9.1 t -95.73 172.18 8.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.2 p -80.0 13.89 2.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.595 ' H ' HG23 ' A' ' 65' ' ' THR . 22.5 mtp180 -135.91 130.33 33.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.47 160.95 43.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.1 m -136.51 102.3 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.545 HG22 HD22 ' A' ' 61' ' ' LEU . 88.8 t -68.71 102.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.1 m -102.21 161.65 13.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' THR . . . 84.91 47.91 5.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' THR . 15.6 mt -117.96 176.24 5.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -83.74 129.95 57.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 110.917 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 145.33 56.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.24 . . . . 0.0 112.34 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.56 44.42 85.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 96.7 m -145.25 120.95 10.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.8 0.333 . . . . 0.0 111.133 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.9 mtt85 -58.07 140.48 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -131.73 141.42 49.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -102.36 109.04 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.436 ' CE2' HG11 ' A' ' 27' ' ' VAL . 93.5 m-85 -92.64 156.83 16.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -157.78 104.4 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.59 HG22 HG12 ' A' ' 46' ' ' ILE . 87.3 t -90.08 152.16 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.579 ' CZ ' ' CZ ' ' A' ' 94' ' ' PHE . 10.5 ptt180 -159.05 155.4 27.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.81 139.07 37.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -125.78 116.85 22.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 88' ' ' SER . 77.4 p -104.84 147.65 27.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 87' ' ' THR . 13.5 m -36.52 -42.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.22 -60.57 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -163.92 -137.02 2.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.8 t -143.47 128.62 18.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.35 -143.5 2.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -109.83 169.27 8.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.579 ' CZ ' ' CZ ' ' A' ' 84' ' ' ARG . 9.3 m-85 -85.54 163.69 18.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.7 t -81.54 171.81 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -54.08 143.04 23.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.06 102.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 0.3 OUTLIER -85.54 146.21 27.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.479 ' N ' ' HG3' ' A' ' 98' ' ' MET . 37.8 mt-10 -123.17 123.46 40.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 71.1 t -151.15 139.7 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -104.6 148.1 26.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 81.8 p -83.68 177.6 8.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.86 116.62 4.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.512 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -58.92 154.42 38.21 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 5.95 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.735 2.29 . . . . 0.0 112.31 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 m -72.41 158.05 36.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.1 177.82 1.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 2.79 3.19 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.717 2.278 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 82.7 p -100.51 17.94 20.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.8 t -93.46 -55.23 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -89.21 -46.96 8.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.389 . . . . 0.0 110.897 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -90.23 -44.84 9.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.19 138.18 7.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 m -96.18 138.99 32.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.369 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -98.84 135.19 40.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.03 -90.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.479 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -120.07 153.08 36.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.79 0.329 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.25 135.18 51.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.625 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -64.58 162.11 37.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.625 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 54.0 Cg_endo -69.77 169.15 19.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.8 t -80.47 165.35 22.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -90.79 112.61 24.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.1 t -54.13 123.59 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 m -117.59 17.68 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.675 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.6 p -127.83 106.32 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.409 HD11 ' OG ' ' A' ' 95' ' ' SER . 40.6 mt -142.32 134.23 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -138.46 170.97 15.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.468 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 3.4 tt0 -120.31 110.73 16.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.828 ' OE2' HD11 ' A' ' 30' ' ' LEU . 34.5 mt-10 -70.81 -53.47 15.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.7 mtt85 -148.06 130.94 16.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.468 ' HB2' ' CD ' ' A' ' 19' ' ' GLN . . . -115.47 102.92 10.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.84 -161.21 31.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -83.69 -47.26 11.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.7 p -117.12 17.57 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.0 p -151.1 159.23 44.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.5 t -156.31 136.19 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.7 t -103.18 145.8 29.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 81' ' ' PHE . 96.9 mt -130.7 141.64 50.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.828 HD11 ' OE2' ' A' ' 20' ' ' GLU . 6.1 mt -122.43 123.74 42.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -145.43 135.16 23.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.675 ' CG ' HG11 ' A' ' 16' ' ' VAL . 5.6 pt20 -92.78 162.68 14.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -56.15 145.21 56.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.626 0.727 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 153.21 69.06 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.258 . . . . 0.0 112.298 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -41.56 -62.53 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.414 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 21.3 mt-30 -127.81 102.0 22.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 54.0 Cg_endo -69.8 -18.84 36.58 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 53.31 46.14 27.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.15 165.09 11.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -69.49 114.23 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.525 ' HA ' HG22 ' A' ' 87' ' ' THR . 86.3 mt -72.84 121.98 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 88' ' ' SER . 27.6 mt -66.21 -57.64 7.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -165.2 163.42 20.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.654 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 64.5 m-85 -103.15 134.45 46.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -107.96 129.3 55.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.595 HD12 HD23 ' A' ' 61' ' ' LEU . 10.4 mt -109.7 123.98 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.58 ' HD3' ' CZ ' ' A' ' 94' ' ' PHE . 41.0 tttt -109.06 117.47 34.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 59' ' ' SER . 25.4 p90 -126.31 119.64 27.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -128.16 164.83 21.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 53' ' ' LYS . 6.1 mt-10 -60.98 103.67 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.529 ' HA ' HG23 ' A' ' 80' ' ' VAL . 20.3 tptm -35.27 -50.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.61 -40.08 70.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.466 ' HA ' ' HE1' ' A' ' 55' ' ' MET . 58.2 mmtt -106.94 106.01 16.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -95.58 -64.77 1.03 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.466 ' HE1' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -43.99 -23.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -65.62 161.82 19.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.6 t -52.01 139.06 23.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -120.16 144.04 47.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.564 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 17.6 m -96.61 141.31 30.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.3 m -115.63 149.63 38.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.595 HD23 HD12 ' A' ' 46' ' ' ILE . 15.7 tp -130.59 145.43 51.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -114.51 125.75 54.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.85 128.63 41.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.8 m -84.89 -32.4 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -96.29 172.5 7.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.448 ' N ' ' OG1' ' A' ' 65' ' ' THR . 22.3 p -77.1 8.07 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.174 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -129.31 127.03 40.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.67 158.94 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.8 m -136.71 101.98 4.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.44 HG22 HD22 ' A' ' 61' ' ' LEU . 71.6 t -68.64 115.79 7.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.2 p -114.18 162.04 17.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.3 40.8 8.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.475 HD21 ' CD2' ' A' ' 48' ' ' TYR . 47.5 mt -104.42 169.04 8.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -96.29 135.95 22.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 110.908 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 160.35 50.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.254 . . . . 0.0 112.374 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.62 41.47 9.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.8 m -144.59 119.12 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 111.156 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.412 ' HB3' ' CB ' ' A' ' 51' ' ' LYS . 30.9 mtt180 -63.6 140.96 58.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -132.38 141.32 48.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.529 HG23 ' HA ' ' A' ' 51' ' ' LYS . 40.5 t -105.15 107.32 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.447 ' CD1' HD11 ' A' ' 29' ' ' LEU . 96.8 m-85 -85.55 152.14 23.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.578 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 85.8 mt-30 -156.83 105.77 2.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.593 HG22 HG12 ' A' ' 46' ' ' ILE . 41.8 t -89.57 144.18 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.576 ' HD3' ' CE1' ' A' ' 94' ' ' PHE . 7.8 ptt85 -142.78 139.94 31.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.654 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -99.66 125.77 45.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -112.77 146.81 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.525 HG22 ' HA ' ' A' ' 41' ' ' ILE . 36.5 p -128.25 163.83 23.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.449 ' HA ' HD11 ' A' ' 42' ' ' LEU . 47.8 t -48.83 -43.01 38.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.89 -61.2 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.99 -166.14 20.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 29.3 p -126.25 148.35 49.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.05 -179.6 26.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.541 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -68.73 165.37 19.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CZ ' ' HD3' ' A' ' 47' ' ' LYS . 11.6 m-85 -58.32 172.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.409 ' OG ' HD11 ' A' ' 17' ' ' ILE . 77.8 p -81.36 -70.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -161.29 164.54 30.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.27 102.13 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.8 ttt -106.29 130.33 54.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -102.16 124.49 47.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 99.5 t -136.3 134.22 49.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -107.21 122.02 45.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.3 p -72.83 160.56 31.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.175 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.76 132.91 52.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -63.19 150.02 89.85 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.543 0.687 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 148.7 66.04 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.715 2.276 . . . . 0.0 112.337 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.5 m -128.01 170.24 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -98.81 154.89 20.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 1.14 4.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.6 p -57.34 130.14 44.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.2 m -75.79 159.7 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t 64.31 42.3 5.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 t -99.71 120.22 39.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.82 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.83 107.14 3.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -133.27 149.05 51.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.903 0.383 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -102.22 169.8 8.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.6 -153.26 19.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.445 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 13.6 mm100 -90.5 151.59 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 110.914 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.97 161.07 29.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.676 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -83.8 163.34 49.38 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 111.094 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.676 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 53.6 Cg_endo -69.77 171.89 13.64 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.643 2.229 . . . . 0.0 112.324 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 t -93.75 127.79 39.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.13 125.54 23.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.446 ' O ' ' CB ' ' A' ' 95' ' ' SER . 83.9 t -66.69 123.88 20.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.2 m -116.67 18.0 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.472 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.5 p -126.27 104.55 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.427 ' C ' ' HG3' ' A' ' 18' ' ' ARG . 83.2 mt -142.89 141.84 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.427 ' HG3' ' C ' ' A' ' 17' ' ' ILE . 6.5 mtp85 -141.27 171.72 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.737 ' HG3' ' HB2' ' A' ' 22' ' ' ALA . 4.3 tt0 -105.37 130.01 53.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 1.6 mm-40 -97.99 -70.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 74.0 mtt180 -97.62 -66.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.737 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . . . 67.98 42.32 1.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' ALA . . . -53.98 -167.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 103' ' ' GLY . 1.6 tt0 -74.87 -60.29 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.6 p -101.12 13.37 35.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.4 p -147.22 153.88 40.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.459 ' CG2' HG22 ' A' ' 102' ' ' THR . 98.9 t -151.65 139.45 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.0 t -115.08 137.27 52.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 81' ' ' PHE . 93.4 mt -116.86 143.04 46.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.524 ' CD2' ' HG3' ' A' ' 67' ' ' ARG . 3.6 mt -120.22 120.88 37.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -140.42 134.13 30.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.472 ' CG ' HG11 ' A' ' 16' ' ' VAL . 6.8 pt20 -91.35 167.42 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -52.12 137.33 37.91 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.647 0.737 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.8 Cg_endo -69.79 155.63 65.33 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' PRO . 22.8 mt-10 -35.79 -67.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 17.9 mt-30 -137.66 101.97 8.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.6 Cg_endo -69.73 -5.15 15.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.338 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 52.1 40.78 29.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.39 -144.42 16.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.3 mm -111.08 138.41 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 111.118 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.583 HD13 ' HB1' ' A' ' 85' ' ' ALA . 46.1 mt -102.61 107.71 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.0 mt -51.12 -59.54 4.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -149.43 158.56 44.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -100.14 113.95 26.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.484 ' HG2' ' CG2' ' A' ' 60' ' ' THR . 9.6 tt0 -83.53 129.69 34.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.811 HG12 HG22 ' A' ' 83' ' ' VAL . 22.9 mt -114.41 127.4 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -109.94 119.36 39.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.477 ' CE2' HD21 ' A' ' 73' ' ' LEU . 48.2 p90 -131.81 135.0 46.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -151.74 162.88 40.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.17 109.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.527 ' HA ' HG23 ' A' ' 80' ' ' VAL . 20.1 tptm -48.01 -54.98 11.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -68.67 -42.66 77.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -101.78 103.99 14.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.37 103.19 12.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 19.3 mmt -112.39 177.17 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -64.16 -53.35 50.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.9 m -66.85 115.8 7.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -124.57 154.2 41.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.472 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 70.0 m -96.04 129.11 43.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.484 ' CG2' ' HG2' ' A' ' 45' ' ' GLU . 14.9 m -117.16 140.16 49.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.517 HD22 ' HA ' ' A' ' 70' ' ' VAL . 53.2 tp -125.49 128.31 47.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -96.72 141.34 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 68' ' ' ALA . . . -142.56 128.09 19.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.112 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.0 m -78.56 -30.11 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 67' ' ' ARG . 8.8 t -100.85 153.72 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.7 p -58.86 -5.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.605 ' O ' HG23 ' A' ' 65' ' ' THR . 2.2 mpt_? -114.87 121.72 44.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.45 ' HB2' ' CB ' ' A' ' 63' ' ' ALA . . . -135.29 163.93 28.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.0 m -141.59 110.59 6.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.517 ' HA ' HD22 ' A' ' 61' ' ' LEU . 49.5 t -80.0 107.48 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.7 m -107.28 161.64 14.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.95 39.9 7.3 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.477 HD21 ' CE2' ' A' ' 48' ' ' TYR . 13.8 mt -112.98 173.65 6.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -96.77 138.88 21.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.55 0.69 . . . . 0.0 110.948 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 160.58 49.18 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.08 47.29 10.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 98.8 m -146.14 117.1 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 0.0 111.192 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -61.38 139.53 58.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -133.01 145.82 51.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' A' ' 51' ' ' LYS . 41.8 t -104.9 104.52 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.486 ' HB3' HD11 ' A' ' 29' ' ' LEU . 97.9 m-85 -89.33 146.13 24.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -148.51 102.46 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.811 HG22 HG12 ' A' ' 46' ' ' ILE . 49.8 t -89.82 140.79 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.3 ptt85 -141.47 161.59 37.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.806 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.583 ' HB1' HD13 ' A' ' 41' ' ' ILE . . . -108.69 132.92 53.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' N ' HG23 ' A' ' 41' ' ' ILE . 17.1 tpt180 -108.91 135.65 49.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.5 p -128.32 147.55 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.6 p -49.49 -37.56 26.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' ' 8' ' ' GLN . . . -62.8 -48.97 76.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.105 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.47 -142.17 3.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 28.0 p -140.21 157.57 45.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -102.41 -116.81 4.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -142.72 150.26 39.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -65.15 141.97 58.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 88.1 p -57.18 169.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.85 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -54.77 148.98 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.3 105.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.4 ttt -100.02 131.26 46.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -106.45 124.07 49.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.76 131.66 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -106.07 118.1 35.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.459 HG22 ' CG2' ' A' ' 27' ' ' VAL . 45.0 p -67.66 155.61 38.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 24' ' ' GLN . . . -49.0 125.2 14.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -65.45 150.22 96.17 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.526 0.679 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 1.9 4.03 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.7 p -99.17 168.07 10.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -140.79 159.92 26.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.258 . . . . 0.0 112.367 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 68.7 p -157.44 151.08 24.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.8 m -42.38 -44.9 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -113.58 118.16 33.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -63.43 -58.84 5.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.38 165.2 11.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 m -134.5 156.29 48.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 m -120.89 159.99 24.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.07 -159.81 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -65.25 173.99 2.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.24 153.55 27.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.71 152.0 87.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 178.69 4.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.411 ' HB3' ' HB2' ' A' ' 34' ' ' PRO . 8.0 t -94.75 179.56 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.489 ' CG ' ' HA ' ' A' ' 95' ' ' SER . 30.3 tt0 -108.49 130.47 55.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 14' ' ' VAL . 28.6 m -82.99 109.88 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.38 17.99 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.926 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.3 p -119.03 106.72 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.085 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.7 mt -142.9 132.7 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -130.43 161.27 31.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -107.57 104.26 13.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.49 -54.47 39.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 12.1 mtp-105 -155.05 132.74 11.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.43 103.03 14.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.12 173.55 54.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.63 -46.63 65.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.3 p -117.95 14.61 14.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.08 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.9 m -153.33 152.04 30.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.4 t -135.1 138.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.7 t -105.37 138.19 41.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 81' ' ' PHE . 67.0 mt -115.42 174.72 5.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.3 tp -157.85 109.47 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.507 ' CG ' HG11 ' A' ' 83' ' ' VAL . 31.8 p90 -129.38 167.75 17.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.946 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.926 ' CG ' HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -132.2 160.06 37.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -52.03 144.23 21.4 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.639 0.733 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.411 ' HB2' ' HB3' ' A' ' 12' ' ' SER . 53.1 Cg_endo -69.76 174.06 10.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.22 -39.83 86.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.431 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 59.6 mt-30 -141.62 102.0 5.98 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.8 Cg_endo -69.73 -18.58 37.08 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 54.71 42.76 30.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.59 -161.08 24.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.437 HD12 ' N ' ' A' ' 40' ' ' ILE . 5.0 mp -97.02 126.39 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.407 ' HA ' HG22 ' A' ' 87' ' ' THR . 75.1 mt -96.77 119.63 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.11 -65.85 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.476 ' C ' ' CD ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -143.69 175.15 10.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.676 ' CE1' ' HB2' ' A' ' 85' ' ' ALA . 52.7 m-85 -119.31 120.82 38.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' OE2' ' N ' ' A' ' 61' ' ' LEU . 6.1 tp10 -86.97 143.38 27.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.45 HD12 HD23 ' A' ' 61' ' ' LEU . 15.2 mt -121.24 120.57 62.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . 80.0 tttt -99.86 117.45 34.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.567 ' CD2' HD21 ' A' ' 73' ' ' LEU . 54.8 p90 -132.84 122.95 25.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CD1' ' HA ' ' A' ' 54' ' ' GLU . 25.5 p90 -140.1 165.16 28.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.2 mt-10 -66.63 112.84 4.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -54.25 -49.62 69.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.31 -47.69 81.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.521 ' C ' ' HE2' ' A' ' 55' ' ' MET . 73.1 mmtt -72.07 -68.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 7.8 tt0 67.99 48.01 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.521 ' HE2' ' C ' ' A' ' 53' ' ' LYS . 29.2 mmt -71.0 140.95 50.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -41.44 -55.09 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.6 p -62.0 108.92 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -103.1 154.51 19.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.4 m -95.82 132.17 41.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.4 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 3.0 p -114.39 129.25 56.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.502 ' N ' ' OE2' ' A' ' 45' ' ' GLU . 11.0 tp -116.86 130.05 56.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -92.01 136.75 32.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.33 128.32 18.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.7 m -83.59 -33.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.42 167.2 11.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.6 p -81.98 16.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -140.43 125.81 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.95 165.77 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.5 m -132.65 107.14 8.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.6 t -70.05 106.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.6 m -111.11 143.52 41.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.66 46.56 0.96 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.567 HD21 ' CD2' ' A' ' 48' ' ' TYR . 8.6 mt -121.06 177.61 5.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -99.56 142.59 24.89 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.589 0.709 . . . . 0.0 110.882 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 162.53 41.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.374 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 39.42 47.95 2.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.0 m -145.37 116.49 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 111.146 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -57.28 145.69 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.51 ' CE1' HD22 ' A' ' 73' ' ' LEU . 9.8 m-85 -135.06 161.48 35.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.2 t -124.37 112.11 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.505 ' CD1' HD11 ' A' ' 29' ' ' LEU . 96.9 m-85 -101.26 153.41 19.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.557 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 22.2 mt-30 -156.4 118.12 3.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.507 HG11 ' CG ' ' A' ' 31' ' ' TRP . 96.4 t -99.09 135.73 33.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -142.7 152.44 42.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.676 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . . . -98.34 121.53 40.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -101.92 116.95 33.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 88' ' ' SER . 82.7 p -113.57 143.6 44.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 87' ' ' THR . 77.6 p -35.12 -38.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.45 -54.1 49.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.14 177.36 47.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.0 m -81.53 159.97 24.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -111.91 166.23 12.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -68.74 144.17 54.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 82' ' ' GLN . 6.8 m-85 -62.24 131.28 48.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 25.9 p -37.91 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.511 ' CG ' ' O ' ' A' ' 95' ' ' SER . 18.8 mt-30 -168.52 159.27 10.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.19 102.01 8.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.6 ttt -107.31 126.19 52.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -99.07 123.87 43.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 71.8 t -136.38 131.77 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -103.54 125.15 49.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.7 p -71.89 159.28 34.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.44 126.51 34.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -67.39 150.03 98.08 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.564 0.697 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 175.0 8.69 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.3 t -160.71 153.68 21.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 172.0 -160.73 32.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 94.0 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.644 2.23 . . . . 0.0 112.387 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.5 p -114.36 176.34 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 93.1 p -139.25 154.2 47.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.456 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -59.55 167.84 1.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.381 . . . . 0.0 110.845 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -107.13 158.94 16.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.84 -126.09 1.0 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t 62.34 41.54 10.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -93.76 152.33 19.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.05 176.24 24.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.698 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 15.5 mp0 -82.83 160.16 22.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.06 144.02 31.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.44 145.93 18.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.552 0.692 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.502 ' HA ' ' OD1' ' A' ' 38' ' ' ASN . 54.2 Cg_endo -69.79 137.62 35.79 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m -59.5 159.78 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -82.86 148.08 27.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.51 ' O ' ' CB ' ' A' ' 95' ' ' SER . 52.9 t -94.02 123.18 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.0 m -112.62 13.44 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.576 HG11 ' HG2' ' A' ' 32' ' ' GLN . 85.5 t -118.88 105.46 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -142.3 132.08 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -130.45 152.79 49.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -96.36 111.46 23.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 13.5 mm-40 -76.75 -59.69 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 53.0 mtp85 -156.9 120.56 4.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . . . -101.66 102.08 12.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 26' ' ' SER . . . -71.83 -177.72 28.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -64.2 -52.76 57.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.9 p -114.51 15.92 17.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' GLY . 31.3 p -153.74 171.95 18.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.696 HG13 ' HB ' ' A' ' 70' ' ' VAL . 2.7 p -163.19 152.97 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 27' ' ' VAL . 11.1 t -117.25 143.24 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.429 HD22 ' HE1' ' A' ' 98' ' ' MET . 63.9 mt -120.39 171.61 8.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.444 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 7.8 tp -154.13 107.31 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.43 ' CE2' HG11 ' A' ' 83' ' ' VAL . 43.3 p90 -123.45 149.66 44.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.964 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.576 ' HG2' HG11 ' A' ' 16' ' ' VAL . 5.9 pt20 -98.33 157.98 15.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -52.47 146.91 15.55 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.643 0.735 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' GLN . 53.5 Cg_endo -69.82 139.79 40.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' PRO . 42.0 mt-10 -34.5 -34.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.504 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 8.5 mt-30 -151.11 102.04 2.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.504 ' OD1' ' O ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER 53.06 38.9 28.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.31 -165.08 14.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.9 mp -81.71 129.01 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 111.15 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.0 mt -96.2 125.8 48.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt -68.01 -53.33 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -166.43 166.31 16.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -106.15 140.08 39.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.56 135.08 45.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.3 mt -118.97 107.5 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.433 ' HZ3' ' HE2' ' A' ' 49' ' ' TYR . 18.3 tttm -103.16 124.19 48.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.585 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 3.9 p90 -133.55 132.87 41.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.433 ' HE2' ' HZ3' ' A' ' 47' ' ' LYS . 8.8 p90 -132.81 170.79 14.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' LYS . 3.5 mt-10 -64.55 102.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.449 ' HA ' HG23 ' A' ' 80' ' ' VAL . 22.4 tptp -36.62 -47.34 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -71.66 -43.75 65.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -100.01 106.42 18.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -92.54 144.21 25.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.442 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 6.3 mmt 53.64 32.2 14.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -116.05 -37.68 3.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.0 m -157.83 102.85 1.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -123.07 139.69 53.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.567 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 15.3 m -125.6 123.74 39.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 m -96.08 127.56 42.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.217 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tp -107.66 141.89 38.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -106.55 118.29 36.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.63 128.37 44.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.2 m -79.23 -35.74 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 67' ' ' ARG . 2.6 t -97.33 172.59 7.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.5 p -76.64 7.66 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 18.5 mtp180 -125.95 133.0 51.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.66 163.36 36.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.1 m -127.44 103.21 7.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.751 HG12 HD11 ' A' ' 73' ' ' LEU . 73.8 t -67.18 103.86 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.7 t -112.8 158.09 20.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.74 56.41 2.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.751 HD11 HG12 ' A' ' 70' ' ' VAL . 1.8 mt -127.77 177.79 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.898 0.38 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -103.93 140.5 21.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.535 0.683 . . . . 0.0 110.928 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 138.75 38.47 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.35 49.84 74.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.3 m -146.96 110.99 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 111.138 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -52.44 149.52 5.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -146.88 133.04 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 51' ' ' LYS . 82.3 t -95.08 106.87 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.14 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.733 ' HE1' HG11 ' A' ' 70' ' ' VAL . 94.7 m-85 -91.09 153.82 19.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -157.13 110.14 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.431 ' N ' ' OG ' ' A' ' 95' ' ' SER . 45.4 t -89.01 143.25 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.415 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 1.3 ptp180 -142.65 160.5 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -107.52 143.3 36.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ttt85 -128.05 130.94 49.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 88' ' ' SER . 23.8 p -123.29 149.57 44.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 87' ' ' THR . 41.9 t -37.93 -47.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' A' ' 8' ' ' GLN . . . -54.51 -65.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -159.26 -141.06 3.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.6 m -131.76 159.47 38.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -100.43 -121.33 4.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -134.17 156.26 48.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.413 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 3.4 m-85 -75.0 132.3 41.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 27.3 p -52.21 178.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -60.55 148.4 38.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.58 106.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.429 ' HE1' HD22 ' A' ' 29' ' ' LEU . 2.1 ttt -95.37 142.63 27.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.424 ' N ' ' HG2' ' A' ' 98' ' ' MET . 29.6 mt-10 -120.51 124.05 44.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 79.5 t -144.99 131.54 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -100.75 120.46 40.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.6 p -52.38 -179.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.05 108.6 2.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -54.96 150.62 18.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 110.835 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 89.63 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.3 m -141.51 165.67 26.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.829 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -123.43 168.35 15.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 109' ' ' SER . 53.2 Cg_endo -69.73 4.14 2.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' PRO . 27.1 t -34.31 -42.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.4 t -114.73 127.78 55.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.456 179.941 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -63.05 -57.43 10.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 p -118.89 158.97 24.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.8 -100.52 0.98 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 m -43.76 -44.85 6.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -55.91 147.92 18.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.06 -130.47 1.12 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -71.9 121.94 19.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.332 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.23 155.23 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 153.56 89.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.726 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -174.91 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.479 ' CB ' ' H ' ' A' ' 36' ' ' GLN . 7.6 t -90.98 131.61 36.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -57.4 108.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -52.01 102.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 15' ' ' VAL . 0.5 OUTLIER -100.77 -2.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.627 HG11 ' HB2' ' A' ' 32' ' ' GLN . 33.4 t -92.55 104.77 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.9 mt -142.68 124.31 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -133.34 160.47 37.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -105.73 103.06 12.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -65.7 -58.6 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -141.78 169.07 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -151.46 122.75 7.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.21 -147.27 17.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -89.63 -53.19 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.4 p -117.76 17.96 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.8 p -141.91 160.74 39.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.7 t -154.96 132.33 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.4 t -96.94 135.84 38.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.571 HD11 ' CG ' ' A' ' 81' ' ' PHE . 30.3 mt -121.69 140.59 52.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.486 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 9.6 tp -128.29 109.5 11.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.47 ' CH2' HD11 ' A' ' 46' ' ' ILE . 43.5 p90 -121.2 144.75 48.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.627 ' HB2' HG11 ' A' ' 16' ' ' VAL . 9.6 mt-30 -94.65 161.77 14.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -57.71 160.63 7.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.695 0.759 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' GLN . 54.4 Cg_endo -69.71 122.12 8.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' PRO . 20.9 mt-10 -32.6 -35.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 34' ' ' PRO . 20.2 mt-30 -148.67 102.26 3.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.579 0.704 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -34.56 14.17 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.256 . . . . 0.0 112.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 56.56 35.65 26.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.68 -156.28 26.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.517 HD12 ' N ' ' A' ' 40' ' ' ILE . 4.3 mp -101.36 141.82 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.493 ' HA ' HG22 ' A' ' 87' ' ' THR . 29.5 mt -107.76 132.0 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mt -81.21 -60.01 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -161.37 170.51 19.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 83.3 m-85 -109.49 149.13 30.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -119.38 144.2 47.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.523 HG12 HG22 ' A' ' 83' ' ' VAL . 13.2 mt -126.6 118.18 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -103.43 119.17 38.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -124.73 132.02 53.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.582 ' CE1' ' HG3' ' A' ' 54' ' ' GLU . 4.1 p90 -149.34 167.07 27.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -69.71 102.28 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.549 ' CB ' HG23 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -46.26 -31.35 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.458 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 21.9 t70 -74.37 -48.01 30.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -74.41 -66.12 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.582 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 6.7 tt0 56.25 47.96 18.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.18 173.9 9.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.32 -48.02 77.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.9 t -64.05 104.17 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -123.4 149.42 45.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.01 153.51 17.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.87 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.3 m -133.4 146.09 50.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 tp -122.49 155.23 36.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -120.18 133.83 55.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.71 133.06 23.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.4 m -86.9 -31.51 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.9 t -97.82 166.69 11.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.1 p -81.0 17.97 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.486 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 33.0 mtm180 -136.64 123.86 21.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.74 151.26 32.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.4 m -124.53 105.78 9.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 81' ' ' PHE . 87.2 t -64.94 108.74 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 t -111.12 155.43 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.99 40.2 4.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 mt -112.93 164.75 13.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -88.33 142.41 31.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.569 0.699 . . . . 0.0 110.932 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 150.06 67.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.258 . . . . 0.0 112.33 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 53.57 45.28 67.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 39.6 m -145.96 107.66 4.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 111.132 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -54.72 146.64 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -139.94 130.17 25.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.549 HG23 ' CB ' ' A' ' 51' ' ' LYS . 99.5 t -90.3 119.5 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CG ' HD11 ' A' ' 29' ' ' LEU . 96.0 m-85 -101.93 151.83 21.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.524 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 47.0 mt-30 -150.71 115.06 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.523 HG22 HG12 ' A' ' 46' ' ' ILE . 62.1 t -106.28 143.77 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.552 ' HD3' ' CD1' ' A' ' 94' ' ' PHE . 20.2 ptt180 -153.3 153.28 32.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.473 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -101.71 135.54 43.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -118.26 111.93 19.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.493 HG22 ' HA ' ' A' ' 41' ' ' ILE . 61.5 p -102.35 141.97 34.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 87' ' ' THR . 1.6 t -33.87 -42.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.56 -64.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.092 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.47 179.09 27.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.432 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 53.7 t -109.02 132.12 54.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -77.45 171.6 55.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -90.05 144.91 25.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.355 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.552 ' CD1' ' HD3' ' A' ' 84' ' ' ARG . 7.3 m-85 -57.43 131.39 49.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.6 t -58.22 175.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -52.29 145.66 10.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.06 109.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.477 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 1.4 tpt -79.09 146.87 32.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.477 ' N ' ' HG3' ' A' ' 98' ' ' MET . 10.6 mt-10 -124.12 124.24 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 96.2 t -155.44 140.48 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -109.15 148.1 31.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 46.5 p -91.67 172.77 8.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -68.48 127.82 23.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -66.11 149.35 97.82 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.701 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.58 3.39 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 99.2 p -45.32 -50.73 11.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -161.38 156.82 28.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -13.45 34.64 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 110' ' ' SER . 2.1 m -125.55 160.62 29.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 109' ' ' SER . 2.8 t -37.91 -57.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -42.21 -60.53 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 m -56.72 123.07 13.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.49 70.35 0.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 m -80.24 -59.02 2.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.914 0.388 . . . . 0.0 110.899 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -53.24 123.99 13.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.35 -124.08 0.97 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -112.14 160.56 17.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.954 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.92 156.3 24.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.57 150.87 57.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.702 . . . . 0.0 111.062 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.492 ' HG3' HG23 ' A' ' 87' ' ' THR . 53.6 Cg_endo -69.77 148.57 65.28 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.383 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.0 p -71.39 131.05 42.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -54.72 121.52 8.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 16' ' ' VAL . 61.9 t -56.43 120.07 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.9 m -109.89 17.98 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.3 p -129.7 114.3 30.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.526 HG21 ' SD ' ' A' ' 98' ' ' MET . 18.9 mt -142.89 137.36 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -135.47 139.47 44.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -94.31 104.22 16.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.412 ' C ' ' HG2' ' A' ' 21' ' ' ARG . 13.4 mt-10 -58.42 -63.46 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HG2' ' C ' ' A' ' 20' ' ' GLU . 26.8 mmt85 -149.65 147.69 28.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.01 103.01 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.6 175.88 17.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -55.6 133.57 50.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.748 HG22 ' O ' ' A' ' 73' ' ' LEU . 27.2 p 39.87 32.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.8 p -154.61 146.33 23.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.0 t -156.29 131.06 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.2 t -101.21 129.91 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.61 HD11 ' CD1' ' A' ' 81' ' ' PHE . 94.8 mt -116.78 133.99 55.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.3 tp -127.58 102.02 6.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 45.9 p90 -112.99 143.71 43.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.492 ' OE1' ' N ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -91.82 148.09 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' A' ' 32' ' ' GLN . 2.7 mt-10 -51.95 150.13 8.17 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.642 0.734 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 138.33 37.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.3 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.44 -37.91 40.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 17.0 mm-40 -133.61 101.96 12.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.569 0.699 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 54.3 Cg_endo -69.69 -35.04 13.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 55.29 45.49 25.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.9 -163.29 25.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.435 HD12 ' N ' ' A' ' 40' ' ' ILE . 5.0 mp -98.5 126.41 51.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 111.148 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.469 ' HA ' HG22 ' A' ' 87' ' ' THR . 22.7 mt -91.71 110.53 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.21 -62.97 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -156.06 159.52 39.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 60.7 m-85 -99.59 135.78 40.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -102.29 137.55 40.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.603 HD12 HD23 ' A' ' 61' ' ' LEU . 13.8 mt -118.76 116.03 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . 51.3 tttt -100.29 115.38 29.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 59' ' ' SER . 33.1 p90 -128.04 126.83 42.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.464 ' CE1' ' HG3' ' A' ' 54' ' ' GLU . 4.0 p90 -144.1 165.53 27.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.464 ' CB ' ' HB2' ' A' ' 53' ' ' LYS . 9.1 mt-10 -54.6 111.08 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.752 ' HA ' HG23 ' A' ' 80' ' ' VAL . 13.8 tptp -42.07 -53.48 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.5 -40.39 64.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -101.53 104.9 15.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.464 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 3.0 mp0 -96.66 -59.47 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.461 ' O ' ' C ' ' A' ' 56' ' ' GLN . 21.8 mmt -55.49 -39.02 69.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 55' ' ' MET . 54.2 tp60 -33.35 -68.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.9 t -168.39 152.02 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -126.15 136.5 52.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 48' ' ' TYR . 4.9 m -108.79 146.95 32.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.7 m -126.85 145.42 50.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.603 HD23 HD12 ' A' ' 46' ' ' ILE . 8.6 tp -136.26 133.21 36.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -99.98 126.45 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.37 128.59 44.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.4 m -77.05 -35.86 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 t -99.14 169.6 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.6 p -80.97 15.3 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -134.62 123.33 23.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.11 145.04 21.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.7 m -114.1 103.82 11.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.15 103.03 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.4 m -110.91 135.13 51.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.26 37.14 0.76 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.748 ' O ' HG22 ' A' ' 25' ' ' THR . 19.9 mt -112.52 176.71 4.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.915 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' HZ2' HG21 ' A' ' 77' ' ' THR . 6.0 mtmp? -92.83 143.06 26.36 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 110.917 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.94 64.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.41 39.94 37.55 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.555 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.423 HG21 ' HZ2' ' A' ' 74' ' ' LYS . 88.0 m -135.33 112.91 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 0.0 111.167 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -55.25 151.41 9.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -144.14 152.89 41.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.752 HG23 ' HA ' ' A' ' 51' ' ' LYS . 98.9 t -112.03 111.34 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CD1' HD11 ' A' ' 29' ' ' LEU . 83.6 m-85 -95.57 150.4 20.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -153.34 108.12 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.418 ' HB ' HD11 ' A' ' 17' ' ' ILE . 59.5 t -91.26 143.1 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.405 ' HD3' ' CE1' ' A' ' 94' ' ' PHE . 28.8 ptt180 -146.32 158.58 43.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.449 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -112.99 126.66 55.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.428 ' HD3' ' C ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -114.0 135.96 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.492 HG23 ' HG3' ' A' ' 11' ' ' PRO . 60.1 p -129.35 152.92 48.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' THR . 94.1 p -38.44 -43.68 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.18 -59.02 4.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -160.82 -135.43 1.82 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 42.5 t -146.21 127.38 14.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.344 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -72.94 -174.49 26.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -95.72 157.25 15.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.352 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 47' ' ' LYS . 4.3 m-85 -71.16 132.66 45.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.1 p -52.07 177.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -58.94 144.9 43.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.63 107.27 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.526 ' SD ' HG21 ' A' ' 17' ' ' ILE . 16.5 ttt -92.15 147.1 23.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -121.75 123.58 42.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 75.6 t -145.6 141.16 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -112.87 149.27 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 62.6 p -90.18 179.22 5.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.13 136.32 25.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.68 143.14 50.2 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.85 24.19 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.3 t -39.76 -59.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -122.83 -171.98 13.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 93.15 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.312 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.3 t -47.73 -56.43 7.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.4 t -49.02 -52.52 24.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.439 -0.265 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.1 p -64.01 -42.59 97.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.823 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.8 p -119.16 110.78 17.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.75 -117.22 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 t -74.08 127.74 33.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.873 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -94.42 -49.48 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.89 -78.15 0.27 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -87.8 167.71 13.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.7 167.54 13.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.5 150.87 52.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 174.57 9.32 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.408 ' HB2' ' H ' ' A' ' 36' ' ' GLN . 2.0 t -88.62 178.8 6.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.474 ' OE1' ' C ' ' A' ' 14' ' ' VAL . 0.7 OUTLIER -101.12 125.53 47.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 14' ' ' VAL . 15.1 m -74.06 112.81 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 m -100.17 17.92 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.0 t -117.49 105.3 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.453 HD12 ' OG ' ' A' ' 95' ' ' SER . 10.1 mt -141.72 127.47 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -134.29 145.27 48.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -90.73 112.11 23.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 3.6 mm-40 -69.43 -55.94 8.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -152.73 156.25 38.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.05 122.09 16.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -129.36 -159.78 9.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -67.31 122.55 18.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 p 42.41 31.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.3 p -148.4 134.64 19.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.496 HG11 ' CE2' ' A' ' 81' ' ' PHE . 95.9 t -145.49 141.62 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.2 t -109.27 141.14 41.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 81' ' ' PHE . 82.2 mt -121.49 151.82 39.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 30' ' ' LEU . 3.9 mt -136.16 113.23 10.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.567 ' CG ' HG11 ' A' ' 83' ' ' VAL . 31.8 p90 -133.36 163.81 28.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -123.27 163.82 19.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -54.33 145.9 34.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.7 Cg_endo -69.77 145.92 58.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 34' ' ' PRO . 35.0 mt-10 -32.27 -63.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.423 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 4.2 pt20 -122.31 102.03 40.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 54.2 Cg_endo -69.73 -25.56 28.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 53.23 38.97 28.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.91 171.22 12.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.498 ' H ' HD12 ' A' ' 40' ' ' ILE . 5.2 mp -67.66 133.94 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.468 HG21 ' CE1' ' A' ' 44' ' ' TYR . 50.4 mt -92.33 107.72 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -51.7 -56.48 13.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -167.85 161.21 12.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.468 ' CE1' HG21 ' A' ' 41' ' ' ILE . 41.9 m-85 -100.04 152.75 19.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 10.4 mt-10 -125.46 131.49 52.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.595 HD13 HD23 ' A' ' 61' ' ' LEU . 5.2 mp -110.11 135.6 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HG3' ' CD2' ' A' ' 58' ' ' TYR . 11.7 tttp -111.83 115.33 28.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.5 ' CE2' ' HB2' ' A' ' 59' ' ' SER . 30.9 p90 -123.65 119.34 29.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.562 ' CE1' ' HG3' ' A' ' 54' ' ' GLU . 10.8 p90 -133.41 158.41 43.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 53' ' ' LYS . 3.7 mt-10 -56.11 109.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' HA ' HG23 ' A' ' 80' ' ' VAL . 18.8 tptp -49.18 -53.34 21.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.97 -42.69 72.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 50' ' ' GLU . 49.1 mmtt -101.82 106.16 17.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.562 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 9.4 mp0 -103.24 114.76 29.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.453 ' HE1' ' HB2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -128.37 149.02 50.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -47.76 -42.41 25.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.1 t -74.08 111.33 9.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.492 ' CD2' ' HG3' ' A' ' 47' ' ' LYS . 45.0 p90 -122.87 154.42 38.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.5 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 24.7 m -95.98 134.46 38.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.4 m -119.67 138.61 53.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.595 HD23 HD13 ' A' ' 46' ' ' ILE . 9.6 tp -113.47 140.6 47.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -101.87 117.47 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.53 128.63 52.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.3 m -82.68 -35.11 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 66' ' ' THR . 1.5 t -98.89 175.53 5.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.446 ' N ' ' OG1' ' A' ' 65' ' ' THR . 20.6 p -82.2 15.85 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.433 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 61.6 mtt-85 -139.67 128.67 23.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.81 152.82 31.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.0 m -121.03 105.45 10.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.505 ' CG1' HD21 ' A' ' 73' ' ' LEU . 92.6 t -68.9 102.66 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 t -106.98 161.9 14.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.05 37.6 9.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.505 HD21 ' CG1' ' A' ' 70' ' ' VAL . 16.5 mt -104.34 178.97 4.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -87.08 133.47 38.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.519 0.676 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 145.21 56.34 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.65 42.31 51.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.6 m -143.43 116.05 8.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 111.177 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.412 ' HB3' ' CB ' ' A' ' 51' ' ' LYS . 33.4 mtt-85 -57.31 142.43 43.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -132.97 140.37 47.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 98' ' ' MET . 42.9 t -96.97 110.6 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.496 ' CE2' HG11 ' A' ' 27' ' ' VAL . 93.7 m-85 -91.67 153.53 19.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.487 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 45.6 mt-30 -157.63 116.56 3.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.567 HG11 ' CG ' ' A' ' 31' ' ' TRP . 67.4 t -88.92 148.25 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.462 ' HG2' ' CE1' ' A' ' 94' ' ' PHE . 4.0 ptp180 -151.96 160.08 43.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.61 170.33 8.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.7 ttm-85 -147.38 107.77 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 40' ' ' ILE . 9.7 p -124.53 149.21 47.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 p -39.52 -50.84 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.14 -60.71 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -147.32 -177.14 21.58 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 92' ' ' GLY . 78.6 m -112.14 17.2 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 91' ' ' CYS . . . 43.96 -169.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -112.39 159.45 18.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 82' ' ' GLN . 13.9 m-85 -59.74 171.23 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.458 ' HB2' ' O ' ' A' ' 14' ' ' VAL . 78.5 p -79.03 -78.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 95' ' ' SER . 39.0 mt-30 -163.27 160.62 24.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.08 102.0 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.494 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 1.4 tpt -93.42 149.23 21.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.494 ' N ' ' HG3' ' A' ' 98' ' ' MET . 32.2 mt-10 -125.1 124.5 42.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 92.5 t -152.8 149.52 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -116.45 141.39 48.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 75.7 p -81.8 176.6 9.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.95 116.6 4.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -58.19 154.34 31.39 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.524 0.678 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 135.72 31.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.4 m -121.14 148.04 44.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -159.58 145.89 12.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.474 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 123.73 10.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.5 m -123.7 116.12 22.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.7 m -68.95 144.74 54.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.833 0.349 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.474 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -76.13 152.58 84.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.541 0.686 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 163.73 37.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -70.54 176.44 4.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -114.13 115.82 28.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.3 t -56.77 125.99 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 m -117.91 11.63 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.7 t -122.54 114.72 43.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.7 mt -142.13 136.54 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 mtt-85 -138.14 151.15 47.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.637 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 7.0 tt0 -93.81 120.9 34.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -83.01 -47.54 11.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.7 mtt85 -154.12 116.55 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.637 ' HB2' ' CD ' ' A' ' 19' ' ' GLN . . . -97.16 102.41 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' SER . . . -81.94 179.04 53.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -70.04 -44.73 68.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.3 p -117.1 -12.73 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' GLY . 64.0 p -124.17 144.49 49.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.64 143.9 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.3 t -106.68 161.04 15.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -136.47 162.57 32.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 14.0 tp -154.06 110.54 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.456 ' CD2' HG11 ' A' ' 83' ' ' VAL . 46.2 p90 -125.37 173.31 8.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 33' ' ' GLU . 4.2 pp0? -112.33 169.92 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.497 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 4.2 mt-10 -67.66 146.25 98.45 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.608 0.718 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' GLU . 54.0 Cg_endo -69.74 135.04 29.49 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.382 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' PRO . 35.6 mt-10 -35.21 -64.31 0.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 12.8 mm-40 -121.61 102.01 42.49 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.6 0.714 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 54.0 Cg_endo -69.75 -30.55 22.14 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 10' ' ' ALA . 60.0 m-20 60.21 43.37 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.96 -162.87 24.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.99 127.61 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 111.117 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.5 mt -90.21 121.88 40.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.2 mt -68.37 -55.39 12.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -166.34 157.53 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.447 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 83.3 m-85 -95.71 131.42 42.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.58 122.74 44.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.513 ' CG1' HG22 ' A' ' 83' ' ' VAL . 5.1 mp -103.99 139.63 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.168 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -113.87 118.59 34.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.509 ' CD2' HG11 ' A' ' 70' ' ' VAL . 48.3 p90 -128.74 128.0 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 4.2 p90 -146.75 156.46 43.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -53.24 110.59 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.42 ' HD3' ' CG2' ' A' ' 80' ' ' VAL . 49.7 tptt -49.57 -53.57 23.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.838 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.929 0.395 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.8 p -105.2 154.02 20.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.787 HD22 HG22 ' A' ' 70' ' ' VAL . 16.0 tp -130.46 126.99 38.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.405 ' CD ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -89.92 121.51 32.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.35 130.13 51.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.8 m -88.13 -26.28 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 66' ' ' THR . 1.8 t -114.41 175.38 5.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.436 ' N ' ' OG1' ' A' ' 65' ' ' THR . 58.0 p -70.95 0.93 6.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.502 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 24.3 mtp180 -117.87 140.85 49.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.58 160.2 42.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.1 m -141.6 114.05 8.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.787 HG22 HD22 ' A' ' 61' ' ' LEU . 73.0 t -85.71 117.63 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.5 m -115.05 154.91 27.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.85 36.96 4.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 48' ' ' TYR . 6.4 mt -113.64 176.29 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.934 0.397 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -102.85 143.37 26.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.701 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 160.87 48.09 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.34 42.5 18.32 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.2 m -141.98 121.2 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.759 0.314 . . . . 0.0 111.161 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.4 mtt-85 -64.47 145.35 56.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 35.6 m-85 -137.43 131.61 32.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.42 ' CG2' ' HD3' ' A' ' 51' ' ' LYS . 49.9 t -93.56 106.16 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.149 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 95.6 m-85 -89.98 152.11 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -154.44 107.98 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.513 HG22 ' CG1' ' A' ' 46' ' ' ILE . 48.8 t -93.31 137.77 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.496 ' HG2' ' CE1' ' A' ' 94' ' ' PHE . 25.6 ptt180 -143.53 152.92 42.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.447 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -98.46 136.82 38.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -120.49 133.38 55.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 33.5 p -130.01 145.47 51.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.8 t -41.72 -44.92 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.43 -56.14 10.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.63 -139.72 2.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 78.7 m -143.5 144.97 32.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.366 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.8 -174.54 32.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.6 mtt85 -86.13 169.28 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.496 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 10.3 m-85 -90.06 145.23 25.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.9 p -60.24 177.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -61.73 150.81 35.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.59 102.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.7 ttt -90.22 127.71 36.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -103.59 124.2 48.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 77.0 t -140.46 138.14 36.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -115.9 129.35 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.7 p -73.47 170.5 15.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.48 124.44 10.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.527 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.1 mttm . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.616 0.722 . . . . 0.0 110.9 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.788 0.328 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.602 ' HB1' ' O ' ' A' ' 91' ' ' CYS . . . -69.39 146.56 96.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 140.88 43.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.4 p -56.62 168.1 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -99.76 130.85 46.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.3 t -65.98 124.86 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.2 m -116.84 17.86 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.59 HG11 ' CG ' ' A' ' 32' ' ' GLN . 3.4 p -134.63 112.02 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.7 mt -141.89 136.66 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.2 mtt-85 -133.77 172.07 13.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.537 ' NE2' ' HB2' ' A' ' 22' ' ' ALA . 7.5 tt0 -118.21 116.46 26.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.14 -55.29 6.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -145.63 131.56 19.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.537 ' HB2' ' NE2' ' A' ' 19' ' ' GLN . . . -106.25 111.25 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.26 -171.15 36.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.465 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -73.62 -54.59 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.9 p -116.74 16.84 15.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 p -147.91 143.9 27.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.0 t -139.69 128.81 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.3 t -92.84 146.42 23.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 81' ' ' PHE . 89.6 mt -124.59 152.56 43.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.3 tp -139.87 111.81 7.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 40.2 p90 -129.16 143.28 50.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.59 ' CG ' HG11 ' A' ' 16' ' ' VAL . 2.7 pt20 -96.25 163.28 13.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -52.88 138.86 43.57 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.64 0.733 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 164.65 33.69 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -45.98 -68.25 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -129.02 102.0 19.32 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.648 0.737 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.4 37.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.383 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 56.09 40.48 30.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.1 179.02 15.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.48 ' H ' HD12 ' A' ' 40' ' ' ILE . 5.3 mp -77.77 125.74 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.497 ' HA ' HG22 ' A' ' 87' ' ' THR . 42.8 mt -86.16 118.23 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.0 mt -59.26 -56.16 25.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' CD ' ' HD2' ' A' ' 62' ' ' LYS . 15.3 pt-20 -157.44 158.5 35.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -100.78 128.09 46.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HG3' ' NZ ' ' A' ' 62' ' ' LYS . 30.5 tt0 -91.77 122.23 34.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.2 mt -107.89 111.19 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -100.37 119.77 38.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -136.39 125.36 24.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -134.25 164.29 27.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.39 107.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.523 ' HA ' HG23 ' A' ' 80' ' ' VAL . 33.5 tptt -45.14 -51.08 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.855 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.7 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.934 0.397 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.86 128.88 25.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 tp -115.58 129.01 56.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.958 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.437 ' HD2' ' CD ' ' A' ' 43' ' ' GLU . 14.3 mmtm -96.25 138.62 33.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.89 130.88 17.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.4 m -81.63 -33.01 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.552 HG23 ' H ' ' A' ' 67' ' ' ARG . 9.7 t -95.75 169.19 10.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.9 p -79.99 14.04 1.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.552 ' H ' HG23 ' A' ' 65' ' ' THR . 43.1 mtt85 -134.48 118.84 17.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.63 154.73 46.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.8 m -123.04 127.11 48.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.405 HG21 ' HE1' ' A' ' 81' ' ' PHE . 93.5 t -88.44 124.29 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.1 p -124.35 158.1 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.31 41.05 6.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.0 mt -111.13 177.86 4.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -109.7 144.02 29.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.563 0.697 . . . . 0.0 110.916 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 154.95 67.3 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.64 2.227 . . . . 0.0 112.356 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.9 48.94 18.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 94.5 m -146.49 117.19 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -64.78 142.65 58.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -135.61 132.19 36.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' A' ' 51' ' ' LYS . 46.2 t -92.39 104.62 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.433 ' CD1' HD11 ' A' ' 29' ' ' LEU . 95.0 m-85 -83.85 154.62 23.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -157.97 102.79 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.0 t -92.92 142.02 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.567 ' HD3' ' CZ ' ' A' ' 94' ' ' PHE . 27.6 ptt85 -145.64 156.01 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.77 142.45 34.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.7 ttt85 -134.47 139.54 45.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 41' ' ' ILE . 76.0 p -127.63 172.26 10.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -64.66 -35.41 80.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.39 -62.37 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -146.89 -158.62 7.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.602 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 21.6 p -132.04 162.07 31.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.861 0.362 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.09 -166.17 19.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -98.23 177.81 5.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.567 ' CZ ' ' HD3' ' A' ' 84' ' ' ARG . 6.5 m-85 -96.64 137.41 35.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.2 t -55.56 161.43 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -52.15 149.03 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.79 105.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.5 ttt -91.32 124.75 35.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -100.1 125.16 46.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 76.8 t -148.53 131.93 7.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -102.52 149.24 24.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 39.1 p -95.83 175.27 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.077 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -72.16 118.94 7.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.546 0.689 . . . . 0.0 110.89 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.817 0.342 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.554 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -85.84 159.19 55.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.73 . . . . 0.0 111.079 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.554 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 53.7 Cg_endo -69.71 145.58 57.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.715 2.276 . . . . 0.0 112.351 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 p -59.24 171.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -93.89 118.85 32.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.06 125.71 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -118.02 15.52 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.2 t -118.71 107.85 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.51 HD11 ' CB ' ' A' ' 95' ' ' SER . 83.9 mt -142.2 136.43 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -136.38 173.5 11.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -115.27 103.57 10.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.29 -51.43 57.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.5 mtm-85 -148.19 144.13 27.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.18 114.85 18.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.86 -162.62 26.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -80.06 -53.31 6.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.7 p -117.02 17.36 14.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.7 p -143.34 157.12 44.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.1 t -154.97 143.11 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.176 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.7 t -113.07 150.78 31.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -129.31 155.08 46.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 10.3 tp -138.71 114.71 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.512 ' CD2' HG11 ' A' ' 83' ' ' VAL . 37.3 p90 -133.18 143.01 48.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -91.46 159.12 16.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -55.54 149.73 28.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.7 Cg_endo -69.8 140.71 43.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 34' ' ' PRO . 37.2 mt-10 -37.42 -54.49 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.43 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 77.7 mt-30 -128.3 102.01 21.39 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.8 Cg_endo -69.73 -26.7 27.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.747 2.298 . . . . 0.0 112.361 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 55.16 42.75 30.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.12 -171.15 22.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp -86.67 128.46 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.341 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.856 HD13 ' OH ' ' A' ' 44' ' ' TYR . 47.7 mt -87.83 118.05 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.9 -59.34 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -154.02 172.35 17.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.856 ' OH ' HD13 ' A' ' 41' ' ' ILE . 47.3 m-85 -120.04 114.99 22.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.486 ' CB ' ' HD3' ' A' ' 84' ' ' ARG . 0.4 OUTLIER -82.82 127.51 33.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.438 HD11 ' CH2' ' A' ' 31' ' ' TRP . 11.8 mt -115.12 126.71 72.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . 35.5 tttt -105.57 125.05 50.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.475 ' CD2' HG11 ' A' ' 70' ' ' VAL . 4.7 p90 -132.19 129.39 39.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -144.16 164.0 31.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.1 108.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.453 ' HD3' HG22 ' A' ' 80' ' ' VAL . 19.4 tptp -47.39 -54.71 10.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.857 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.967 0.413 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.8 m -131.2 148.89 52.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.3 tp -130.75 127.42 38.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -92.0 135.94 33.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -136.78 129.71 30.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.164 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.69 -26.26 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 67' ' ' ARG . 0.2 OUTLIER -107.22 171.58 7.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.43 ' N ' ' OG1' ' A' ' 65' ' ' THR . 33.7 p -74.28 5.2 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.467 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 43.3 mtt180 -128.04 136.17 50.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.78 163.24 39.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.2 m -136.83 118.24 14.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.589 HG21 ' HE1' ' A' ' 81' ' ' PHE . 39.3 t -86.12 107.35 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.6 m -107.69 157.44 18.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.68 42.2 5.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.2 mt -113.53 172.57 6.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -96.79 141.16 22.67 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.714 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.88 48.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.7 50.58 8.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.6 m -151.12 118.42 5.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 0.0 111.164 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -65.62 139.8 58.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -130.24 140.39 50.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.453 HG22 ' HD3' ' A' ' 51' ' ' LYS . 60.2 t -99.48 111.09 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.589 ' HE1' HG21 ' A' ' 70' ' ' VAL . 90.3 m-85 -96.28 150.51 20.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.532 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 61.6 mt-30 -151.09 112.93 4.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.512 HG11 ' CD2' ' A' ' 31' ' ' TRP . 44.3 t -91.65 140.1 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.601 ' HD2' ' CE1' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -140.99 153.52 45.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.582 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -108.16 143.42 36.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -133.73 130.46 38.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.9 p -121.49 170.78 9.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 t -60.11 -45.28 93.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.28 -59.3 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.5 -143.6 3.76 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.8 t -155.97 142.73 18.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -80.28 -134.97 1.39 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.467 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 73.1 mtt85 -141.86 165.53 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.601 ' CE1' ' HD2' ' A' ' 84' ' ' ARG . 4.8 m-85 -64.12 150.2 46.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.51 ' CB ' HD11 ' A' ' 17' ' ' ILE . 25.9 m -75.75 176.88 7.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -52.03 143.75 13.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.62 102.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.432 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 2.7 tpt -85.71 145.07 27.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 98' ' ' MET . 23.9 mt-10 -123.44 124.92 43.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.5 t -142.45 136.25 27.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -112.16 138.72 48.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.5 p -90.87 167.83 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -72.53 122.87 8.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.464 ' N ' ' HD3' ' A' ' 104' ' ' LYS . 1.4 mppt? . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.647 0.737 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.774 0.321 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.506 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -64.43 157.95 69.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.546 0.688 . . . . 0.0 111.097 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.506 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 53.2 Cg_endo -69.8 154.06 68.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.318 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 p -71.92 147.65 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.456 ' OE1' ' C ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -72.98 125.46 27.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.456 ' C ' ' OE1' ' A' ' 13' ' ' GLN . 57.5 t -62.64 103.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -96.18 5.97 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 p -118.01 108.18 23.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.2 mt -142.38 143.66 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -141.55 173.1 11.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -122.98 110.74 15.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.468 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 2.4 mm-40 -69.34 -56.42 7.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.0 mtm105 -148.03 143.29 27.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.98 141.32 52.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -134.86 -164.87 10.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -67.15 -61.22 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -117.39 17.86 14.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.6 p -137.05 144.63 43.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.4 t -154.49 137.01 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.1 t -107.68 147.47 30.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.7 mt -133.07 136.2 45.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 30' ' ' LEU . 5.9 mt -116.36 126.38 53.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 26.4 p90 -145.56 130.35 18.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -91.37 170.3 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -52.06 135.49 38.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.712 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 165.7 30.11 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.61 2.207 . . . . 0.0 112.372 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -41.77 -67.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -133.55 102.0 12.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.712 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.444 ' HB3' HD11 ' A' ' 41' ' ' ILE . 53.9 Cg_endo -69.76 -16.83 37.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 56.73 47.32 18.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.77 -166.96 13.86 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mp -87.5 124.53 40.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.444 HD11 ' HB3' ' A' ' 37' ' ' PRO . 44.0 mt -85.74 109.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.3 mt -46.42 -55.91 6.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.502 ' CD ' ' C ' ' A' ' 43' ' ' GLU . 0.5 OUTLIER -159.5 165.32 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -103.84 110.04 22.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -78.42 128.33 33.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.5 mt -115.41 115.5 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -107.83 115.28 29.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 59' ' ' SER . 2.0 p90 -121.55 125.15 46.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 4.2 p90 -130.7 165.43 22.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.04 116.35 4.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.579 ' HA ' HG23 ' A' ' 80' ' ' VAL . 19.2 tptm -42.82 -49.48 5.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.8 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.898 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.576 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 49.6 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.971 0.415 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.0 m -113.99 137.04 52.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.8 tp -122.57 149.31 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -116.81 126.63 53.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.92 135.0 51.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.052 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.4 m -91.06 -29.84 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.9 OUTLIER -104.05 174.74 5.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.453 ' N ' ' OG1' ' A' ' 65' ' ' THR . 16.2 p -80.29 14.51 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.466 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 53.2 mtt85 -139.96 119.8 13.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.98 157.89 44.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.0 m -129.42 115.78 18.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.4 t -80.04 111.52 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.6 m -112.37 160.33 17.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.5 39.86 9.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.406 HD21 ' CE2' ' A' ' 48' ' ' TYR . 28.5 mt -106.72 178.37 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.939 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -101.17 132.27 22.15 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.729 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 164.38 34.72 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 42.82 43.13 5.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.4 m -145.64 115.43 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 111.154 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -61.05 137.18 58.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -128.56 156.94 42.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.579 HG23 ' HA ' ' A' ' 51' ' ' LYS . 89.9 t -118.08 106.91 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 97.8 m-85 -90.06 147.31 23.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -149.13 109.04 4.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.48 139.6 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.596 ' HG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -144.14 142.22 30.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.17 121.85 41.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -108.93 121.71 45.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 88' ' ' SER . 39.2 p -107.18 145.21 32.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 87' ' ' THR . 8.1 t -34.82 -43.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.13 -64.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -152.14 -143.97 3.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.6 p -135.33 160.75 37.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.817 0.341 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.88 162.08 13.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -61.67 147.57 45.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.814 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.596 ' CZ ' ' HG2' ' A' ' 84' ' ' ARG . 9.0 m-85 -70.33 154.13 42.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.433 ' HA ' ' CD ' ' A' ' 13' ' ' GLN . 87.7 p -64.55 168.13 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -56.58 144.3 32.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.39 102.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.3 ttt -94.77 128.13 41.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -99.38 127.08 45.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 87.2 t -140.48 132.17 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -105.25 134.07 48.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 58.0 p -83.86 165.75 18.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -63.76 136.47 41.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.7 mttp . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.889 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.82 0.343 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.3 149.14 49.73 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.63 0.728 . . . . 0.0 111.063 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.533 ' HG3' HG23 ' A' ' 87' ' ' THR . 53.6 Cg_endo -69.72 170.07 17.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.266 . . . . 0.0 112.341 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -84.67 121.16 27.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -54.19 123.58 13.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.1 t -56.54 122.79 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.6 m -117.72 13.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.69 HG11 ' HG2' ' A' ' 32' ' ' GLN . 3.0 p -126.27 110.33 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.452 HD11 ' HB ' ' A' ' 83' ' ' VAL . 65.5 mt -142.02 144.25 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtp-105 -140.72 169.68 17.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.648 ' OE1' HG11 ' A' ' 100' ' ' VAL . 19.1 tt0 -117.85 105.02 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.456 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 4.5 mm-40 -64.59 -68.09 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 9.6 mtp-105 -132.89 135.69 45.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.3 103.01 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.64 -152.88 24.27 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -88.26 -51.95 5.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.6 p -117.9 17.72 14.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.3 p -147.83 141.65 25.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.6 t -143.78 135.51 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.5 t -99.38 155.54 17.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.7 mt -136.91 140.18 42.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.473 ' CD2' ' HG2' ' A' ' 67' ' ' ARG . 5.6 mt -120.47 126.04 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.542 ' CH2' HD11 ' A' ' 46' ' ' ILE . 33.2 p90 -145.35 131.39 19.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.69 ' HG2' HG11 ' A' ' 16' ' ' VAL . 8.0 pt20 -94.04 164.19 13.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -54.82 146.31 37.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 157.58 59.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.367 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -47.93 -54.8 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.412 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 23.1 mt-30 -129.74 103.58 17.45 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.584 0.707 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.9 Cg_endo -69.74 -28.05 25.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 52.6 44.28 30.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.34 -173.61 21.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mp -87.93 124.09 40.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.77 0.319 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.458 ' HA ' HG22 ' A' ' 87' ' ' THR . 18.4 mt -84.23 106.17 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.8 -60.79 2.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -158.72 159.18 34.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -96.47 114.43 26.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.79 117.42 23.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.6 HG12 HG22 ' A' ' 83' ' ' VAL . 18.0 mt -102.92 120.36 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -101.32 115.2 29.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 59' ' ' SER . 42.9 p90 -125.57 125.26 42.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.484 ' CE1' ' HB ' ' A' ' 80' ' ' VAL . 3.8 p90 -143.21 159.2 42.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -69.84 119.86 14.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -45.58 -48.84 14.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.447 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 1.4 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.93 0.395 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.9 m -131.38 146.97 52.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.5 tp -138.13 151.98 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.17 134.99 54.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.51 132.05 38.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.6 m -89.09 -28.55 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.108 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.6 OUTLIER -103.37 172.71 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.434 ' N ' ' OG1' ' A' ' 65' ' ' THR . 42.7 p -80.53 11.31 3.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.473 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 35.8 mtm180 -135.62 127.47 29.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -143.91 165.58 27.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.2 m -140.27 110.78 6.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.519 HG21 ' CE1' ' A' ' 81' ' ' PHE . 81.4 t -74.07 115.0 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.154 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 t -116.47 157.74 24.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.36 40.47 6.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.489 HD22 ' CE1' ' A' ' 79' ' ' TYR . 12.2 mt -110.48 173.97 6.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.889 0.376 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mtmm -102.4 139.88 20.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 162.7 41.03 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.362 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 42.93 44.68 5.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.6 m -143.59 119.86 10.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 111.142 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -59.05 139.67 56.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.489 ' CE1' HD22 ' A' ' 73' ' ' LEU . 11.3 m-85 -129.09 158.88 37.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.484 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 27.6 t -128.91 113.98 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.519 ' CE1' HG21 ' A' ' 70' ' ' VAL . 95.5 m-85 -101.8 149.13 24.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -152.61 105.71 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.6 HG22 HG12 ' A' ' 46' ' ' ILE . 24.7 t -92.26 142.52 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.554 ' HD3' ' CZ ' ' A' ' 94' ' ' PHE . 22.9 ptt180 -145.84 147.05 31.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.48 131.48 46.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -123.2 123.61 41.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.533 HG23 ' HG3' ' A' ' 11' ' ' PRO . 72.8 p -109.98 152.03 26.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 87' ' ' THR . 94.3 p -34.82 -42.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.72 -60.64 3.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.061 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -164.87 -173.46 33.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 28.5 p -106.97 142.17 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.87 163.56 21.45 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.48 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -55.68 176.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.554 ' CZ ' ' HD3' ' A' ' 84' ' ' ARG . 6.5 m-85 -96.94 147.16 24.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.0 p -59.34 178.06 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -63.46 137.89 58.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.49 104.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.2 ttt -102.15 121.26 41.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -102.86 129.16 49.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.648 HG11 ' OE1' ' A' ' 19' ' ' GLN . 88.3 t -138.02 131.85 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -101.14 135.76 42.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 57.3 p -83.76 169.01 15.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -69.38 131.43 24.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 104' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.554 0.692 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.779 0.323 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.02 151.48 81.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.534 0.683 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 143.31 50.47 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -57.14 164.45 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' A' ' 94' ' ' PHE . 25.7 tt0 -93.3 129.76 39.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.451 ' O ' ' CB ' ' A' ' 95' ' ' SER . 90.9 t -68.8 115.8 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.8 m -116.89 15.95 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.554 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.9 p -126.14 109.12 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.6 mt -142.07 147.22 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -143.08 173.62 11.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -119.19 111.03 17.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.469 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 2.5 mm-40 -72.8 -60.17 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -139.26 135.65 34.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.07 111.43 21.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.43 -169.45 30.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.504 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -73.74 -55.52 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.1 p -114.92 17.24 17.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.0 p -143.87 150.78 38.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.6 t -151.47 137.6 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.1 t -105.66 152.71 22.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.515 HD11 ' CD2' ' A' ' 81' ' ' PHE . 16.6 mt -137.49 138.46 39.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.469 ' HG ' ' CG ' ' A' ' 20' ' ' GLU . 5.8 mt -117.37 126.63 53.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 30.5 p90 -145.52 131.71 19.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.554 ' CG ' HG11 ' A' ' 16' ' ' VAL . 1.6 pt20 -91.06 160.51 15.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -52.36 148.37 12.16 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.667 0.746 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.55 63.11 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.238 . . . . 0.0 112.34 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.54 -48.7 14.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -136.74 102.39 9.43 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -24.34 29.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 53.19 41.67 32.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.89 160.54 10.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.644 ' H ' HD12 ' A' ' 40' ' ' ILE . 5.3 mp -62.2 128.77 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 37.0 mt -91.89 106.98 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 mt -51.55 -57.9 7.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -156.88 171.94 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -112.05 124.93 53.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -90.7 126.95 36.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 60' ' ' THR . 19.0 mt -110.52 135.26 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -124.37 116.03 21.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.522 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 7.0 p90 -125.49 139.52 53.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 10.4 p90 -153.37 173.04 16.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.458 ' HG2' ' CG2' ' A' ' 77' ' ' THR . 7.1 mt-10 -77.91 114.08 16.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.624 ' HB3' HG23 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -70.39 -26.87 63.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.884 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.001 0.429 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 46' ' ' ILE . 7.5 m -113.8 146.78 39.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.5 tp -126.99 133.2 50.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.71 127.42 45.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 68' ' ' ALA . . . -127.6 128.27 45.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.08 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 m -80.9 -34.35 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 t -98.94 173.56 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.4 p -78.61 8.65 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.44 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 73.3 mtt180 -129.88 119.53 23.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.411 ' HB2' ' CB ' ' A' ' 63' ' ' ALA . . . -139.29 154.52 47.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.1 m -130.6 108.58 10.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.504 HG13 ' CZ ' ' A' ' 48' ' ' TYR . 89.1 t -71.88 115.34 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.168 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 t -112.16 158.58 19.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.42 39.19 6.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.491 HD21 ' CD2' ' A' ' 48' ' ' TYR . 46.3 mt -107.05 174.32 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -101.49 139.05 20.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.563 0.697 . . . . 0.0 110.893 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 151.45 69.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.396 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.54 39.87 67.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.458 ' CG2' ' HG2' ' A' ' 50' ' ' GLU . 97.6 m -144.05 110.77 5.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.766 0.317 . . . . 0.0 111.111 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.2 mtt85 -57.06 148.58 21.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -137.57 132.23 32.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.624 HG23 ' HB3' ' A' ' 51' ' ' LYS . 46.8 t -94.31 102.19 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.522 ' CD2' ' HB3' ' A' ' 48' ' ' TYR . 88.7 m-85 -85.83 156.64 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -155.22 108.48 2.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.9 t -92.59 139.48 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.575 ' HD2' ' CE1' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -143.54 154.52 43.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.31 139.63 34.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -122.77 125.11 44.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.0 p -122.21 158.65 28.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 t -56.24 -44.81 79.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.807 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.82 -49.41 65.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.32 -129.49 1.12 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.0 p -149.81 168.93 22.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -114.75 -137.46 6.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -123.91 164.95 18.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.575 ' CE1' ' HD2' ' A' ' 84' ' ' ARG . 8.8 m-85 -82.32 140.31 33.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 39.7 p -57.61 178.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -65.11 138.58 58.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.67 102.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 6.8 ttt -94.46 130.13 40.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.28 123.88 47.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.1 t -141.61 138.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -110.56 150.93 28.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 73.6 p -97.64 170.13 9.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.11 117.16 10.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.468 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.0 mttm . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 110.903 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.823 0.344 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.36 140.89 97.79 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.545 0.688 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.01 36.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.313 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -70.54 141.63 51.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -75.89 119.03 19.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.8 t -56.68 119.29 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 m -114.06 16.16 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.57 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.7 p -126.44 108.2 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.41 HD12 ' HB3' ' A' ' 95' ' ' SER . 35.2 mt -140.31 123.82 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.507 ' HD2' HD23 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -137.53 170.77 15.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.721 ' OE1' HG11 ' A' ' 100' ' ' VAL . 12.9 tt0 -109.85 130.16 55.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.632 ' HG3' HD22 ' A' ' 30' ' ' LEU . 3.8 mt-10 -90.22 -41.9 11.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -157.74 129.4 6.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.87 128.81 49.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.48 178.1 19.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -71.36 -49.66 40.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.3 p -115.47 8.91 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.5 p -141.58 166.16 25.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.8 t -153.64 131.34 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.3 t -96.08 141.6 29.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.3 mt -115.52 166.33 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.632 HD22 ' HG3' ' A' ' 20' ' ' GLU . 14.0 tp -152.09 116.73 5.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.417 ' CD2' HG11 ' A' ' 83' ' ' VAL . 23.6 p90 -144.5 128.69 17.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.57 ' CG ' HG11 ' A' ' 16' ' ' VAL . 3.6 pt20 -91.12 165.11 13.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -52.08 147.61 12.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 174.83 8.93 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.743 2.295 . . . . 0.0 112.328 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -60.73 -45.35 94.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -147.73 101.97 3.69 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -19.69 36.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.267 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 56.1 42.89 27.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.58 -172.55 18.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp -81.94 129.35 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.538 HG23 ' O ' ' A' ' 86' ' ' ARG . 72.5 mt -92.67 121.71 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.51 -61.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -159.87 164.83 33.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 85' ' ' ALA . 45.7 m-85 -105.14 117.57 34.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.407 ' CD ' ' HG3' ' A' ' 62' ' ' LYS . 4.2 mm-40 -86.35 156.54 20.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.457 HG12 HG22 ' A' ' 83' ' ' VAL . 9.3 mt -135.43 126.31 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -103.19 117.37 34.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -130.23 129.68 43.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -153.07 157.77 40.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -57.38 118.76 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -62.57 -38.6 90.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.962 0.41 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.8 m -114.9 148.98 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.4 tp -127.64 130.78 49.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.407 ' HG3' ' CD ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -90.15 128.6 36.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.821 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.03 131.69 52.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.094 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.9 m -88.48 -32.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 67' ' ' ARG . 1.6 t -97.59 168.75 10.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.2 p -79.85 12.96 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.455 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 54.1 mtt180 -146.81 118.06 7.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.58 165.88 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.8 m -133.77 108.44 8.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.8 t -72.4 106.63 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.7 t -102.54 160.53 14.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.73 42.31 5.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.445 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.413 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 12.9 mt -113.9 173.98 6.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -104.42 143.39 26.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.71 . . . . 0.0 110.896 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 160.61 49.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.63 52.68 9.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 m -154.95 112.74 3.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.746 0.308 . . . . 0.0 111.17 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -56.91 139.37 51.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.413 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 21.2 m-85 -129.89 128.81 42.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.6 t -91.24 115.35 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.164 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.53 151.01 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -156.97 113.07 2.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.457 HG22 HG12 ' A' ' 46' ' ' ILE . 88.0 t -98.34 154.25 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.437 ' N ' HG12 ' A' ' 83' ' ' VAL . 16.4 ptt180 -157.26 157.47 34.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.56 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . . . -103.77 152.04 22.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.538 ' O ' HG23 ' A' ' 41' ' ' ILE . 13.9 tpt180 -136.05 137.28 40.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.2 p -124.48 166.82 15.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.7 p -63.33 -35.99 82.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.03 -55.72 17.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.98 -155.11 7.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.437 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 45.8 t -131.16 151.86 51.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.32 -128.41 4.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -142.8 169.78 16.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -84.6 134.39 34.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.41 ' HB3' HD12 ' A' ' 17' ' ' ILE . 18.4 t -61.75 172.16 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -52.18 140.5 20.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.73 116.18 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.9 ttt -102.07 145.11 29.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -113.69 125.48 54.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.721 HG11 ' OE1' ' A' ' 19' ' ' GLN . 86.1 t -140.21 131.69 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -104.0 147.17 27.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.2 p -97.75 167.13 11.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.173 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -66.73 127.48 28.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.0 mptt . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.581 0.705 . . . . 0.0 110.866 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.836 0.351 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.45 152.58 32.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.702 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.32 2.82 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.643 2.228 . . . . 0.0 112.366 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -94.36 177.02 6.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.438 ' CD ' ' O ' ' A' ' 94' ' ' PHE . 9.1 tt0 -108.01 130.13 55.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.499 HG23 ' HB3' ' A' ' 95' ' ' SER . 36.0 m -68.47 121.59 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.6 m -104.92 16.43 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.988 HG11 ' NE2' ' A' ' 32' ' ' GLN . 58.1 t -128.2 111.6 24.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.452 ' CD1' ' OG ' ' A' ' 95' ' ' SER . 13.1 mt -141.36 139.62 32.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 mtp-105 -137.46 174.94 10.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -119.65 106.54 12.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.467 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 8.0 mm-40 -70.07 -47.08 63.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.442 ' CG ' ' HB3' ' A' ' 28' ' ' SER . 11.2 ptt180 -154.76 162.35 41.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -153.5 103.5 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.82 -137.97 3.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.457 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -95.35 -51.51 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.9 p -116.91 15.94 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.4 p -144.98 150.84 37.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.8 t -150.7 132.92 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.442 ' HB3' ' CG ' ' A' ' 21' ' ' ARG . 13.4 t -91.83 150.61 20.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.568 HD11 ' CD1' ' A' ' 81' ' ' PHE . 84.4 mt -130.91 154.5 48.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 30' ' ' LEU . 3.0 mt -139.11 114.86 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CG ' HG11 ' A' ' 83' ' ' VAL . 42.8 p90 -127.21 164.99 20.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.988 ' NE2' HG11 ' A' ' 16' ' ' VAL . 71.0 mt-30 -110.19 174.7 5.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.34 148.0 88.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.653 0.739 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' GLU . 54.2 Cg_endo -69.71 137.66 36.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' PRO . 23.4 mt-10 -34.31 -60.22 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -131.18 102.0 16.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.729 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -25.35 28.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.359 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 56.55 42.5 27.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.06 -172.01 23.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.83 134.42 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.495 ' HA ' HG22 ' A' ' 87' ' ' THR . 70.9 mt -94.25 126.63 46.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.79 -50.56 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -167.32 161.84 14.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -99.78 132.78 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -101.34 120.05 39.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.5 mt -101.8 119.63 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -101.38 119.85 39.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.567 ' CD1' ' O ' ' A' ' 48' ' ' TYR . 22.4 p90 -133.09 127.2 33.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -141.03 165.16 28.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.18 108.8 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.54 ' HA ' HG23 ' A' ' 80' ' ' VAL . 18.1 tptp -47.57 -54.59 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.863 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.944 0.402 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.0 m -118.2 146.55 44.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.1 tp -114.81 158.61 21.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -117.73 128.05 54.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.98 131.33 37.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.046 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.7 m -82.05 -24.08 9.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 67' ' ' ARG . 5.4 t -116.16 166.81 11.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.507 ' HA ' ' CE2' ' A' ' 31' ' ' TRP . 76.4 p -66.92 -2.9 5.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 65' ' ' THR . 47.8 mtt85 -115.39 127.75 55.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.52 157.46 43.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.2 m -127.43 106.97 9.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.413 HG13 ' CE2' ' A' ' 48' ' ' TYR . 87.6 t -73.06 120.47 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.0 t -122.04 159.2 27.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.52 37.91 7.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.3 mt -107.11 175.57 5.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.876 0.369 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -102.57 140.19 20.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.549 0.69 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 158.72 55.9 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.323 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.37 42.24 13.02 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.536 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 93.4 m -144.41 121.72 11.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 111.184 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 -66.96 142.76 57.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -134.87 130.86 36.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.54 HG23 ' HA ' ' A' ' 51' ' ' LYS . 40.1 t -89.7 107.01 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CD1' HD11 ' A' ' 29' ' ' LEU . 93.9 m-85 -88.3 147.49 24.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 95' ' ' SER . 15.0 mm100 -150.66 113.81 4.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.579 HG11 ' CG ' ' A' ' 31' ' ' TRP . 63.7 t -93.42 139.6 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.441 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -139.42 154.93 47.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.16 117.86 35.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -101.99 123.61 46.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.495 HG22 ' HA ' ' A' ' 41' ' ' ILE . 25.4 p -120.67 144.2 48.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 87' ' ' THR . 30.0 t -34.21 -49.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.55 -61.38 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.89 -156.07 8.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.546 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 72.9 m -117.08 157.24 26.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.833 0.349 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -111.26 177.48 19.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -73.23 162.59 29.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 84' ' ' ARG . 5.8 m-85 -84.67 144.18 28.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.499 ' HB3' HG23 ' A' ' 14' ' ' VAL . 96.6 p -58.08 174.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -55.73 135.2 51.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.03 102.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.446 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 0.9 OUTLIER -85.03 145.11 27.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 98' ' ' MET . 43.5 mt-10 -124.85 124.06 41.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 86.5 t -147.36 148.81 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -117.34 134.75 54.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.5 p -78.08 170.36 16.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.14 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.04 118.05 4.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.559 0.695 . . . . 0.0 110.927 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.784 0.326 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 143.06 97.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 157.27 60.97 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.319 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 t -67.63 131.15 45.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.441 ' CD ' ' O ' ' A' ' 94' ' ' PHE . 8.2 tt0 -64.06 126.25 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 95' ' ' SER . 89.8 t -60.75 112.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.36 17.92 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.453 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.7 p -129.74 105.19 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.1 mt -142.31 135.7 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -132.57 174.81 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -119.3 109.57 15.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.463 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 5.5 mm-40 -70.37 -55.54 8.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 21' ' ' ARG . 40.1 mtm105 -148.88 144.83 27.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.05 120.81 31.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.55 -165.15 16.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.4 -62.49 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 p -117.97 17.88 14.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.411 ' C ' HG23 ' A' ' 27' ' ' VAL . 46.6 p -129.6 152.55 49.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.411 HG23 ' C ' ' A' ' 26' ' ' SER . 97.7 t -157.53 143.6 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -118.17 139.78 50.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.496 HD11 ' CD1' ' A' ' 81' ' ' PHE . 44.2 mt -125.5 133.47 52.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' A' ' 30' ' ' LEU . 6.1 mt -113.38 126.93 55.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 24.5 p90 -145.64 131.42 19.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' CG ' HG11 ' A' ' 16' ' ' VAL . 7.6 pt20 -91.37 160.42 15.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.08 139.42 34.24 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.671 0.748 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.1 Cg_endo -69.82 149.81 67.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 34' ' ' PRO . 24.2 mt-10 -37.19 -64.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -125.09 102.28 31.15 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.739 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -12.54 33.06 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.738 2.292 . . . . 0.0 112.335 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 55.1 43.81 28.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.71 -178.68 16.43 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.518 ' H ' HD12 ' A' ' 40' ' ' ILE . 5.4 mp -74.74 126.24 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 111.152 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.4 mt -86.92 120.29 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.11 -63.35 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -154.14 159.92 41.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -99.58 128.59 45.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 84' ' ' ARG . 0.7 OUTLIER -94.72 134.26 37.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.436 HG12 HG22 ' A' ' 83' ' ' VAL . 11.5 mt -122.94 107.98 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -99.99 123.33 44.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.553 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 18.8 p90 -131.61 141.56 49.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -153.39 156.64 38.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.498 ' HG2' HG21 ' A' ' 77' ' ' THR . 4.3 mt-10 -53.29 109.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -49.61 -52.14 32.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.888 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.525 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 44.0 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.933 0.397 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.467 ' CG2' ' HG3' ' A' ' 45' ' ' GLU . 22.3 m -106.87 153.22 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 tp -139.46 129.28 24.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.94 132.87 40.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.39 129.6 37.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.7 m -84.72 -36.05 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 t -93.07 170.04 9.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.5 p -80.92 16.23 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.478 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 54.8 mtt180 -138.74 119.24 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.18 155.08 47.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.2 m -131.88 102.91 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.661 HG21 ' HE1' ' A' ' 81' ' ' PHE . 58.3 t -71.23 118.02 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.6 m -121.24 151.51 39.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.9 39.11 4.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.1 mt -106.66 177.9 4.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -98.02 134.74 21.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.884 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 153.95 68.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.748 2.299 . . . . 0.0 112.338 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.29 46.23 51.98 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.455 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.498 HG21 ' HG2' ' A' ' 50' ' ' GLU . 85.3 m -150.58 114.46 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.708 0.289 . . . . 0.0 111.184 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.441 ' NH1' ' OE1' ' A' ' 99' ' ' GLU . 31.7 mtt180 -58.01 145.99 34.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -134.46 147.07 50.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.4 t -107.49 107.99 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.661 ' HE1' HG21 ' A' ' 70' ' ' VAL . 84.5 m-85 -92.76 153.07 19.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -154.43 112.72 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.436 HG22 HG12 ' A' ' 46' ' ' ILE . 51.1 t -100.52 146.61 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.621 ' HG2' ' CE1' ' A' ' 94' ' ' PHE . 6.0 ppt_? -153.83 154.67 34.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -105.96 139.22 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.426 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 6.1 ttt85 -117.95 115.81 25.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 88' ' ' SER . 37.8 p -109.07 136.93 47.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 87' ' ' THR . 48.6 p -34.6 -42.88 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.74 -60.81 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -156.51 -154.65 7.1 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.498 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 13.9 m -131.11 142.64 50.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.368 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -104.68 153.45 17.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -54.53 176.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.621 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 9.7 m-85 -92.67 139.97 30.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 55.6 p -51.95 168.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -52.08 145.12 10.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.44 105.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 1.9 tpt -86.39 145.17 26.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 98' ' ' MET . 31.1 mt-10 -122.55 125.49 45.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.6 t -141.44 132.95 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -106.89 133.87 50.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.9 p -82.2 174.32 11.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -86.82 129.97 9.74 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.4 mttt . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.565 0.697 . . . . 0.0 110.873 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.817 0.341 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.04 148.42 67.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.572 0.701 . . . . 0.0 111.062 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 168.87 20.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.226 . . . . 0.0 112.367 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -70.6 177.65 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -109.71 117.64 34.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.14 113.34 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -110.7 17.0 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.1 t -120.64 105.16 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 68.3 mt -141.02 132.99 29.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' LEU . 11.4 mtp180 -141.27 151.85 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.52 119.2 38.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -76.15 -54.85 6.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -149.72 137.22 19.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.96 102.07 11.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.88 -171.84 43.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -69.48 -56.51 7.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.3 p -117.8 16.09 14.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.2 p -145.25 150.12 36.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.0 t -142.87 145.98 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.9 t -103.44 156.01 18.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.4 HD11 ' CD2' ' A' ' 81' ' ' PHE . 44.1 mt -135.54 153.55 51.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' ARG . 4.8 mt -137.44 120.44 16.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.658 ' CH2' HD11 ' A' ' 46' ' ' ILE . 17.3 p90 -145.3 140.93 28.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -92.44 173.77 7.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.91 148.26 98.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.75 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' GLU . 54.3 Cg_endo -69.68 142.0 47.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.277 . . . . 0.0 112.399 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' PRO . 31.5 mt-10 -36.32 -65.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -128.4 102.46 20.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -21.63 32.95 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 57.16 40.68 28.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.51 -147.78 19.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.549 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.494 ' O ' HG22 ' A' ' 87' ' ' THR . 16.6 mm -111.58 143.12 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mt -107.09 118.91 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.86 -50.15 63.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -162.7 155.08 18.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.545 ' CE1' ' HB2' ' A' ' 85' ' ' ALA . 49.1 m-85 -96.31 111.53 23.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.19 131.51 38.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.702 HG12 HG22 ' A' ' 83' ' ' VAL . 23.6 mt -117.08 124.75 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -101.36 118.25 36.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -127.91 122.27 32.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.541 ' CZ ' ' HB ' ' A' ' 80' ' ' VAL . 31.9 p90 -137.2 158.25 44.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.555 ' HG3' ' CE1' ' A' ' 79' ' ' TYR . 3.8 mt-10 -71.3 104.89 3.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 50' ' ' GLU . 35.7 tptt -32.97 -43.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.879 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.0 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.939 0.399 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.8 m -121.65 146.27 47.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.453 ' HG ' ' N ' ' A' ' 62' ' ' LYS . 6.3 tp -136.56 150.31 48.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.453 ' N ' ' HG ' ' A' ' 61' ' ' LEU . 7.8 mptt -110.1 133.24 53.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.51 133.83 46.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -92.05 -32.59 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -100.36 172.2 7.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.434 ' N ' ' OG1' ' A' ' 65' ' ' THR . 32.5 p -80.36 13.54 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -142.96 118.17 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.49 158.39 43.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.5 m -129.0 104.53 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.23 120.62 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.5 p -113.99 159.24 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.53 44.37 5.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.475 HD22 ' CE1' ' A' ' 79' ' ' TYR . 16.6 mt -113.02 173.6 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' HE3' ' CD ' ' A' ' 50' ' ' GLU . 9.2 mtmm -108.42 142.82 26.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 161.51 45.63 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.51 53.3 7.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.468 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.474 HG21 ' HG2' ' A' ' 50' ' ' GLU . 89.4 m -155.12 120.31 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.75 0.309 . . . . 0.0 111.137 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.5 mtt-85 -60.07 142.88 53.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 50' ' ' GLU . 15.6 m-85 -134.24 141.14 46.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.541 ' HB ' ' CZ ' ' A' ' 49' ' ' TYR . 17.4 t -111.13 114.65 47.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.4 ' CD2' HD11 ' A' ' 29' ' ' LEU . 49.0 m-85 -99.36 151.47 21.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -152.58 105.97 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.702 HG22 HG12 ' A' ' 46' ' ' ILE . 40.1 t -89.42 149.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -156.23 154.98 31.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.545 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . . . -99.32 142.41 30.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -126.49 136.0 52.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 40' ' ' ILE . 81.4 p -128.08 151.2 49.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.7 p -43.01 -36.83 1.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.79 -63.31 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -156.56 -161.93 11.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.35 142.22 50.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.43 162.51 28.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -65.16 148.56 51.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -67.23 170.86 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -94.8 175.81 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -53.76 139.04 34.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.36 104.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.477 ' O ' HG13 ' A' ' 80' ' ' VAL . 4.5 ttp -83.11 156.37 23.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -124.48 123.95 41.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.2 t -145.9 131.85 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -104.63 146.9 28.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.2 p -91.75 178.0 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.37 118.18 5.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 110.876 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.886 ' HB3' ' OD1' ' A' ' 38' ' ' ASN . . . . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.783 0.325 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -52.13 160.51 1.2 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.534 0.683 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 53.5 Cg_endo -69.73 -164.86 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.5 t -107.3 170.92 7.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -103.94 112.51 25.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -53.51 127.15 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.3 m -115.84 17.55 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 31' ' ' TRP . 87.1 t -128.2 109.04 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.9 mt -141.28 140.77 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 30' ' ' LEU . 55.3 mtt180 -139.4 171.46 14.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -118.82 104.92 11.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.466 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 6.7 mm-40 -68.31 -46.25 70.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.437 ' CG ' ' HB3' ' A' ' 28' ' ' SER . 11.0 ptt85 -152.14 148.78 28.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.84 118.43 19.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.27 -156.54 11.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -74.24 -66.61 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 p -111.04 17.35 20.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 p -136.86 147.01 46.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.3 t -152.61 128.14 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.437 ' HB3' ' CG ' ' A' ' 21' ' ' ARG . 37.4 t -98.36 137.35 37.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 30' ' ' LEU . 82.5 mt -121.24 160.5 23.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.55 ' CD2' ' HG3' ' A' ' 67' ' ' ARG . 4.6 mt -141.83 122.55 14.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.403 ' HB2' ' O ' ' A' ' 16' ' ' VAL . 37.9 p90 -139.65 140.03 36.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -90.94 166.65 12.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -52.72 144.94 23.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.657 0.742 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.429 ' HG3' ' CD1' ' A' ' 41' ' ' ILE . 53.8 Cg_endo -69.75 -164.72 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -132.88 116.22 16.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.55 ' N ' ' CD ' ' A' ' 37' ' ' PRO . 15.5 mt-30 67.98 48.03 0.41 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 53.6 Cg_endo -69.8 5.43 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.886 ' OD1' ' HB3' ' A' ' 9' ' ' ALA . 3.2 m-80 57.85 36.1 26.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.39 -179.91 16.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 40' ' ' ILE . 5.2 mp -71.87 149.84 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.429 ' CD1' ' HG3' ' A' ' 34' ' ' PRO . 16.2 mt -106.84 120.02 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.5 mt -56.68 -61.16 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' CD ' ' HD2' ' A' ' 62' ' ' LYS . 12.9 pt-20 -147.23 174.54 11.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -119.04 143.01 47.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -105.64 140.37 38.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.9 mt -123.02 117.28 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -108.87 121.48 45.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.447 ' CD2' HD21 ' A' ' 73' ' ' LEU . 2.2 p90 -127.46 130.07 48.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 4.0 p90 -137.74 165.72 25.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.15 112.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.442 ' HA ' HG23 ' A' ' 80' ' ' VAL . 19.6 tptp -49.82 -52.95 28.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.3 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.893 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 48' ' ' TYR . 58.6 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.943 0.402 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.9 p -104.21 127.16 51.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.167 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.0 tp -111.54 126.85 55.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.417 ' HD2' ' CD ' ' A' ' 43' ' ' GLU . 25.1 mmtp -94.29 124.86 38.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -131.13 128.2 39.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.4 m -77.82 -35.66 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.437 ' C ' ' H ' ' A' ' 67' ' ' ARG . 5.1 t -99.07 157.4 16.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.2 p -61.25 -2.14 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.55 ' HG3' ' CD2' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -111.0 128.13 55.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.02 151.33 33.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 93.0 m -129.22 120.76 26.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.429 HG13 ' CZ ' ' A' ' 48' ' ' TYR . 97.7 t -82.94 113.68 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.6 p -112.56 161.73 16.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.19 39.83 8.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.443 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.447 HD21 ' CD2' ' A' ' 48' ' ' TYR . 23.8 mt -107.96 169.15 8.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.362 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -92.33 135.04 27.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 145.23 56.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.338 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.37 49.97 68.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.0 m -151.64 112.66 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 111.148 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -54.28 137.19 41.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -129.09 151.84 49.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.442 HG23 ' HA ' ' A' ' 51' ' ' LYS . 61.8 t -113.15 105.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.404 ' CE1' HG21 ' A' ' 70' ' ' VAL . 97.8 m-85 -88.01 148.3 24.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -148.4 106.22 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.4 t -93.23 144.59 9.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.407 ' NH1' ' O ' ' A' ' 85' ' ' ALA . 15.3 ptt85 -151.8 156.95 41.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.407 ' O ' ' NH1' ' A' ' 84' ' ' ARG . . . -98.44 148.04 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -129.73 113.37 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 38.2 p -103.54 163.68 12.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.8 p -51.87 -44.72 63.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.3 -59.73 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.32 -134.96 1.78 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 74.1 m -135.11 148.04 49.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.34 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.8 -146.76 21.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -107.94 157.67 18.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.94 142.52 40.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.0 p -60.93 175.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -59.06 138.16 57.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.87 113.45 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.1 ttt -101.37 146.11 28.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -116.01 124.67 51.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 94.5 t -139.13 140.13 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -110.6 131.41 55.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.2 p -79.07 177.78 8.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.99 123.09 6.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.529 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.4 mttt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.827 -179.946 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.797 0.332 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -76.03 155.78 84.41 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.552 0.692 . . . . 0.0 111.072 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.517 ' HG3' HG23 ' A' ' 87' ' ' THR . 54.0 Cg_endo -69.77 161.13 47.11 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.694 2.262 . . . . 0.0 112.378 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -69.67 174.45 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.401 ' OE1' ' HB3' ' A' ' 93' ' ' ARG . 10.2 tt0 -105.31 116.11 31.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 95' ' ' SER . 87.5 t -52.79 120.33 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.5 m -117.89 17.81 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.614 HG11 ' CG ' ' A' ' 32' ' ' GLN . 3.0 p -128.22 113.68 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.574 HG21 ' SD ' ' A' ' 98' ' ' MET . 65.5 mt -142.21 147.65 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -143.8 163.32 33.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -111.85 114.57 27.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 6.3 mm-40 -78.96 -62.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -153.65 118.93 5.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.423 ' HA ' HG23 ' A' ' 27' ' ' VAL . . . -96.81 102.04 13.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 26' ' ' SER . . . -71.54 177.07 37.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.443 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -60.23 -54.88 40.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.891 0.377 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.7 p -111.83 14.83 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' GLY . 39.2 p -153.41 174.21 14.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.676 HG13 ' HB ' ' A' ' 70' ' ' VAL . 2.5 p -163.96 157.85 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.5 ' N ' HG22 ' A' ' 27' ' ' VAL . 37.4 t -120.38 136.62 54.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.9 mt -115.56 165.66 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 67' ' ' ARG . 5.8 mt -142.32 122.99 14.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -145.72 133.53 21.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.614 ' CG ' HG11 ' A' ' 16' ' ' VAL . 2.7 pt20 -91.69 160.73 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -52.04 148.75 10.43 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 157.87 58.97 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.718 2.278 . . . . 0.0 112.33 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -46.11 -51.2 14.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -140.49 102.02 6.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -19.4 36.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.746 2.297 . . . . 0.0 112.348 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 52.08 42.54 30.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.22 -163.07 25.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.441 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp -98.21 130.67 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 111.093 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.519 ' HA ' HG22 ' A' ' 87' ' ' THR . 19.1 mt -92.01 121.41 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.75 -52.77 58.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -167.2 158.27 11.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.441 ' OH ' HD13 ' A' ' 41' ' ' ILE . 37.0 m-85 -98.43 117.4 32.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -84.35 132.59 34.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.2 mt -120.54 111.15 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -99.83 119.09 37.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.575 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 30.9 p90 -128.9 124.86 36.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 6.5 p90 -132.48 156.68 46.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.558 ' HG3' ' CE1' ' A' ' 79' ' ' TYR . 4.5 mt-10 -53.59 105.48 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HD3' HG22 ' A' ' 80' ' ' VAL . 22.1 tptp -46.64 -50.36 17.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 179.914 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.947 0.403 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.3 p -108.98 158.45 17.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.5 tp -130.85 126.85 37.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.43 120.48 32.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.53 128.39 46.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.5 m -82.74 -32.55 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.541 HG23 ' H ' ' A' ' 67' ' ' ARG . 9.7 t -98.44 169.78 9.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.9 p -76.94 5.54 7.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.541 ' H ' HG23 ' A' ' 65' ' ' THR . 61.0 mtt85 -131.97 119.46 21.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.95 154.26 49.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.2 m -116.62 105.89 12.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.836 HG21 ' CE1' ' A' ' 81' ' ' PHE . 53.6 t -67.7 114.45 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 t -119.5 153.02 35.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.71 55.02 2.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.69 HD11 HG12 ' A' ' 70' ' ' VAL . 7.7 mt -126.47 176.71 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 110.913 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -103.99 140.85 21.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.607 0.718 . . . . 0.0 110.834 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 137.3 35.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.396 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.401 ' CA ' ' HG2' ' A' ' 104' ' ' LYS . . . 61.88 50.19 68.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.499 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.8 m -148.96 113.27 5.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.35 . . . . 0.0 111.109 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -55.97 145.36 25.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CE1' ' HG3' ' A' ' 50' ' ' GLU . 24.9 m-85 -140.1 131.45 26.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.426 HG22 ' HD3' ' A' ' 51' ' ' LYS . 60.7 t -89.64 112.67 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.836 ' CE1' HG21 ' A' ' 70' ' ' VAL . 71.6 m-85 -96.72 145.09 26.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 96' ' ' GLN . 12.7 mm100 -147.43 111.98 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.95 151.18 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.452 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -145.95 171.97 14.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.05 120.33 23.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.7 ttp85 -117.22 131.93 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.519 HG22 ' HA ' ' A' ' 41' ' ' ILE . 60.9 p -121.07 163.24 18.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.3 p -54.19 -41.25 68.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.92 -60.18 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.53 -165.81 13.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.401 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 2.0 t -122.82 160.37 26.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -107.13 -157.02 20.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.478 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.401 ' HB3' ' OE1' ' A' ' 13' ' ' GLN . 26.4 mtp180 -113.18 177.67 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 84' ' ' ARG . 4.3 m-85 -92.9 134.3 35.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 10.4 t -59.35 174.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.406 ' O ' ' OE1' ' A' ' 82' ' ' GLN . 24.4 mt-30 -54.93 139.23 41.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.03 102.93 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.574 ' SD ' HG21 ' A' ' 17' ' ' ILE . 12.6 ttt -86.91 142.02 28.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.414 ' OE2' ' CE ' ' A' ' 51' ' ' LYS . 85.6 mt-10 -120.35 123.42 43.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 75.9 t -141.23 131.98 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -104.73 118.73 37.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.5 p -52.06 179.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.91 110.87 3.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.401 ' HG2' ' CA ' ' A' ' 76' ' ' GLY . 28.3 mtmt . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.807 0.337 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.01 152.19 51.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 157.93 58.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.253 . . . . 0.0 112.295 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t -66.49 135.54 54.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.437 ' CD ' ' O ' ' A' ' 94' ' ' PHE . 12.4 tt0 -67.08 113.96 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.3 t -53.72 121.35 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 m -116.06 17.92 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.506 HG11 ' HG2' ' A' ' 32' ' ' GLN . 2.8 p -128.47 111.82 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.3 mt -142.11 137.6 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -132.61 153.61 50.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -101.39 108.94 20.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 3.5 mm-40 -67.17 -61.75 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 23.1 mtm180 -156.85 138.44 14.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.78 106.08 16.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.84 176.0 22.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -56.6 132.72 52.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 72' ' ' GLY . 12.2 p 39.73 31.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.435 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -155.16 158.22 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.805 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.436 HG11 ' CE2' ' A' ' 81' ' ' PHE . 72.7 t -157.66 131.37 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 t -100.72 132.3 46.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.1 mt -115.93 156.53 26.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.415 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 7.2 tp -141.35 111.01 6.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.465 ' CH2' HD11 ' A' ' 46' ' ' ILE . 40.0 p90 -132.05 135.74 46.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.506 ' HG2' HG11 ' A' ' 16' ' ' VAL . 7.4 pt20 -91.25 160.14 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -52.51 143.94 25.86 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.7 0.762 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -178.2 2.22 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -73.6 -66.67 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.415 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 27.2 mp0 -111.8 102.02 52.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.6 Cg_endo -69.75 -23.77 30.46 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 52.59 46.09 27.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.53 -169.99 16.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mp -86.95 127.22 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.5 mt -89.44 102.38 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.1 mt -53.6 -57.77 9.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -156.84 173.2 17.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -108.1 156.44 19.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.499 ' HG2' ' CG2' ' A' ' 60' ' ' THR . 4.0 tt0 -120.31 129.52 54.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.59 HG12 HG22 ' A' ' 83' ' ' VAL . 17.2 mt -117.45 120.17 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.474 ' HZ3' ' HE2' ' A' ' 49' ' ' TYR . 27.0 tttm -104.43 123.3 47.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.451 ' CE1' ' HB2' ' A' ' 59' ' ' SER . 45.5 p90 -131.52 135.94 47.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.474 ' HE2' ' HZ3' ' A' ' 47' ' ' LYS . 6.9 p90 -153.36 155.58 36.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -52.63 109.93 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -50.96 -51.74 49.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.968 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.824 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.451 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 33.1 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.933 0.396 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.499 ' CG2' ' HG2' ' A' ' 45' ' ' GLU . 4.5 m -117.31 147.51 42.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.545 HD22 HG22 ' A' ' 70' ' ' VAL . 21.1 tp -129.01 126.64 39.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -90.6 146.02 24.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.99 131.42 19.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.0 m -83.45 -37.04 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.595 HG23 ' H ' ' A' ' 67' ' ' ARG . 9.1 t -95.73 172.18 8.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.2 p -80.0 13.89 2.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.595 ' H ' HG23 ' A' ' 65' ' ' THR . 22.5 mtp180 -135.91 130.33 33.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.47 160.95 43.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.1 m -136.51 102.3 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.545 HG22 HD22 ' A' ' 61' ' ' LEU . 88.8 t -68.71 102.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.1 m -102.21 161.65 13.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' THR . . . 84.91 47.91 5.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' THR . 15.6 mt -117.96 176.24 5.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -83.74 129.95 57.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 110.917 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 145.33 56.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.24 . . . . 0.0 112.34 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.56 44.42 85.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 96.7 m -145.25 120.95 10.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.8 0.333 . . . . 0.0 111.133 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.9 mtt85 -58.07 140.48 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -131.73 141.42 49.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -102.36 109.04 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.436 ' CE2' HG11 ' A' ' 27' ' ' VAL . 93.5 m-85 -92.64 156.83 16.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -157.78 104.4 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.59 HG22 HG12 ' A' ' 46' ' ' ILE . 87.3 t -90.08 152.16 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.579 ' CZ ' ' CZ ' ' A' ' 94' ' ' PHE . 10.5 ptt180 -159.05 155.4 27.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.81 139.07 37.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -125.78 116.85 22.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 88' ' ' SER . 77.4 p -104.84 147.65 27.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 87' ' ' THR . 13.5 m -36.52 -42.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.22 -60.57 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -163.92 -137.02 2.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.8 t -143.47 128.62 18.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.35 -143.5 2.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -109.83 169.27 8.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.579 ' CZ ' ' CZ ' ' A' ' 84' ' ' ARG . 9.3 m-85 -85.54 163.69 18.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.7 t -81.54 171.81 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -54.08 143.04 23.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.06 102.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 0.3 OUTLIER -85.54 146.21 27.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.479 ' N ' ' HG3' ' A' ' 98' ' ' MET . 37.8 mt-10 -123.17 123.46 40.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 71.1 t -151.15 139.7 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -104.6 148.1 26.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 81.8 p -83.68 177.6 8.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.86 116.62 4.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.512 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.908 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.856 0.36 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.625 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -64.58 162.11 37.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.625 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 54.0 Cg_endo -69.77 169.15 19.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.8 t -80.47 165.35 22.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -90.79 112.61 24.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.1 t -54.13 123.59 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 m -117.59 17.68 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.675 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.6 p -127.83 106.32 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.409 HD11 ' OG ' ' A' ' 95' ' ' SER . 40.6 mt -142.32 134.23 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -138.46 170.97 15.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.468 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 3.4 tt0 -120.31 110.73 16.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.828 ' OE2' HD11 ' A' ' 30' ' ' LEU . 34.5 mt-10 -70.81 -53.47 15.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.7 mtt85 -148.06 130.94 16.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.468 ' HB2' ' CD ' ' A' ' 19' ' ' GLN . . . -115.47 102.92 10.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.84 -161.21 31.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -83.69 -47.26 11.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.7 p -117.12 17.57 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.0 p -151.1 159.23 44.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.5 t -156.31 136.19 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.7 t -103.18 145.8 29.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 81' ' ' PHE . 96.9 mt -130.7 141.64 50.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.828 HD11 ' OE2' ' A' ' 20' ' ' GLU . 6.1 mt -122.43 123.74 42.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -145.43 135.16 23.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.675 ' CG ' HG11 ' A' ' 16' ' ' VAL . 5.6 pt20 -92.78 162.68 14.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -56.15 145.21 56.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.626 0.727 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 153.21 69.06 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.258 . . . . 0.0 112.298 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -41.56 -62.53 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.414 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 21.3 mt-30 -127.81 102.0 22.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 54.0 Cg_endo -69.8 -18.84 36.58 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 53.31 46.14 27.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.15 165.09 11.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -69.49 114.23 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.525 ' HA ' HG22 ' A' ' 87' ' ' THR . 86.3 mt -72.84 121.98 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 88' ' ' SER . 27.6 mt -66.21 -57.64 7.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -165.2 163.42 20.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.654 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 64.5 m-85 -103.15 134.45 46.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -107.96 129.3 55.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.595 HD12 HD23 ' A' ' 61' ' ' LEU . 10.4 mt -109.7 123.98 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.58 ' HD3' ' CZ ' ' A' ' 94' ' ' PHE . 41.0 tttt -109.06 117.47 34.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 59' ' ' SER . 25.4 p90 -126.31 119.64 27.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -128.16 164.83 21.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 51' ' ' LYS . 6.1 mt-10 -60.98 103.67 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.529 ' HA ' HG23 ' A' ' 80' ' ' VAL . 20.3 tptm -35.27 -50.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.564 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 17.6 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.952 0.406 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.3 m -115.63 149.63 38.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.595 HD23 HD12 ' A' ' 46' ' ' ILE . 15.7 tp -130.59 145.43 51.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -114.51 125.75 54.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.85 128.63 41.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.8 m -84.89 -32.4 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -96.29 172.5 7.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.448 ' N ' ' OG1' ' A' ' 65' ' ' THR . 22.3 p -77.1 8.07 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.174 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -129.31 127.03 40.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.67 158.94 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.8 m -136.71 101.98 4.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.44 HG22 HD22 ' A' ' 61' ' ' LEU . 71.6 t -68.64 115.79 7.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.2 p -114.18 162.04 17.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.3 40.8 8.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.475 HD21 ' CD2' ' A' ' 48' ' ' TYR . 47.5 mt -104.42 169.04 8.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -96.29 135.95 22.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 110.908 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 160.35 50.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.254 . . . . 0.0 112.374 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.62 41.47 9.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.8 m -144.59 119.12 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 111.156 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.412 ' HB3' ' CB ' ' A' ' 51' ' ' LYS . 30.9 mtt180 -63.6 140.96 58.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -132.38 141.32 48.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.529 HG23 ' HA ' ' A' ' 51' ' ' LYS . 40.5 t -105.15 107.32 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.447 ' CD1' HD11 ' A' ' 29' ' ' LEU . 96.8 m-85 -85.55 152.14 23.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.578 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 85.8 mt-30 -156.83 105.77 2.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.593 HG22 HG12 ' A' ' 46' ' ' ILE . 41.8 t -89.57 144.18 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.576 ' HD3' ' CE1' ' A' ' 94' ' ' PHE . 7.8 ptt85 -142.78 139.94 31.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.654 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -99.66 125.77 45.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -112.77 146.81 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.525 HG22 ' HA ' ' A' ' 41' ' ' ILE . 36.5 p -128.25 163.83 23.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.449 ' HA ' HD11 ' A' ' 42' ' ' LEU . 47.8 t -48.83 -43.01 38.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.89 -61.2 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.99 -166.14 20.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 29.3 p -126.25 148.35 49.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.05 -179.6 26.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.541 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -68.73 165.37 19.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CZ ' ' HD3' ' A' ' 47' ' ' LYS . 11.6 m-85 -58.32 172.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.409 ' OG ' HD11 ' A' ' 17' ' ' ILE . 77.8 p -81.36 -70.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -161.29 164.54 30.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.27 102.13 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.8 ttt -106.29 130.33 54.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -102.16 124.49 47.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 99.5 t -136.3 134.22 49.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -107.21 122.02 45.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.3 p -72.83 160.56 31.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.175 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.76 132.91 52.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.543 0.687 . . . . 0.0 110.904 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.839 0.352 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.676 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -83.8 163.34 49.38 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 111.094 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.676 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 53.6 Cg_endo -69.77 171.89 13.64 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.643 2.229 . . . . 0.0 112.324 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 t -93.75 127.79 39.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -57.13 125.54 23.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.446 ' O ' ' CB ' ' A' ' 95' ' ' SER . 83.9 t -66.69 123.88 20.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.2 m -116.67 18.0 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.472 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.5 p -126.27 104.55 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.427 ' C ' ' HG3' ' A' ' 18' ' ' ARG . 83.2 mt -142.89 141.84 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.427 ' HG3' ' C ' ' A' ' 17' ' ' ILE . 6.5 mtp85 -141.27 171.72 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.737 ' HG3' ' HB2' ' A' ' 22' ' ' ALA . 4.3 tt0 -105.37 130.01 53.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.473 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 1.6 mm-40 -97.99 -70.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 74.0 mtt180 -97.62 -66.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.737 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . . . 67.98 42.32 1.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' ALA . . . -53.98 -167.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 103' ' ' GLY . 1.6 tt0 -74.87 -60.29 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.6 p -101.12 13.37 35.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.4 p -147.22 153.88 40.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.459 ' CG2' HG22 ' A' ' 102' ' ' THR . 98.9 t -151.65 139.45 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.0 t -115.08 137.27 52.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 81' ' ' PHE . 93.4 mt -116.86 143.04 46.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.524 ' CD2' ' HG3' ' A' ' 67' ' ' ARG . 3.6 mt -120.22 120.88 37.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -140.42 134.13 30.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.472 ' CG ' HG11 ' A' ' 16' ' ' VAL . 6.8 pt20 -91.35 167.42 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -52.12 137.33 37.91 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.647 0.737 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.8 Cg_endo -69.79 155.63 65.33 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' PRO . 22.8 mt-10 -35.79 -67.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.406 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 17.9 mt-30 -137.66 101.97 8.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.6 Cg_endo -69.73 -5.15 15.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.338 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 52.1 40.78 29.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.39 -144.42 16.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.3 mm -111.08 138.41 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 111.118 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.583 HD13 ' HB1' ' A' ' 85' ' ' ALA . 46.1 mt -102.61 107.71 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.0 mt -51.12 -59.54 4.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -149.43 158.56 44.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -100.14 113.95 26.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.484 ' HG2' ' CG2' ' A' ' 60' ' ' THR . 9.6 tt0 -83.53 129.69 34.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.811 HG12 HG22 ' A' ' 83' ' ' VAL . 22.9 mt -114.41 127.4 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -109.94 119.36 39.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.477 ' CE2' HD21 ' A' ' 73' ' ' LEU . 48.2 p90 -131.81 135.0 46.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -151.74 162.88 40.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.17 109.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.527 ' HA ' HG23 ' A' ' 80' ' ' VAL . 20.1 tptm -48.01 -54.98 11.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.869 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.472 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 70.0 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.96 0.409 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.484 ' CG2' ' HG2' ' A' ' 45' ' ' GLU . 14.9 m -117.16 140.16 49.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.517 HD22 ' HA ' ' A' ' 70' ' ' VAL . 53.2 tp -125.49 128.31 47.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -96.72 141.34 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 68' ' ' ALA . . . -142.56 128.09 19.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.112 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.0 m -78.56 -30.11 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 67' ' ' ARG . 8.8 t -100.85 153.72 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.7 p -58.86 -5.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.605 ' O ' HG23 ' A' ' 65' ' ' THR . 2.2 mpt_? -114.87 121.72 44.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.45 ' HB2' ' CB ' ' A' ' 63' ' ' ALA . . . -135.29 163.93 28.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.0 m -141.59 110.59 6.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.517 ' HA ' HD22 ' A' ' 61' ' ' LEU . 49.5 t -80.0 107.48 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.7 m -107.28 161.64 14.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.95 39.9 7.3 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.477 HD21 ' CE2' ' A' ' 48' ' ' TYR . 13.8 mt -112.98 173.65 6.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -96.77 138.88 21.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.55 0.69 . . . . 0.0 110.948 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 160.58 49.18 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.08 47.29 10.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 98.8 m -146.14 117.1 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 0.0 111.192 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -61.38 139.53 58.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -133.01 145.82 51.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' A' ' 51' ' ' LYS . 41.8 t -104.9 104.52 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.486 ' HB3' HD11 ' A' ' 29' ' ' LEU . 97.9 m-85 -89.33 146.13 24.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -148.51 102.46 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.811 HG22 HG12 ' A' ' 46' ' ' ILE . 49.8 t -89.82 140.79 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.3 ptt85 -141.47 161.59 37.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.806 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.583 ' HB1' HD13 ' A' ' 41' ' ' ILE . . . -108.69 132.92 53.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.413 ' N ' HG23 ' A' ' 41' ' ' ILE . 17.1 tpt180 -108.91 135.65 49.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.5 p -128.32 147.55 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.6 p -49.49 -37.56 26.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.97 76.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.47 -142.17 3.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 28.0 p -140.21 157.57 45.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -102.41 -116.81 4.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -142.72 150.26 39.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -65.15 141.97 58.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 88.1 p -57.18 169.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.85 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -54.77 148.98 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.3 105.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.4 ttt -100.02 131.26 46.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -106.45 124.07 49.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.76 131.66 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -106.07 118.1 35.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.459 HG22 ' CG2' ' A' ' 27' ' ' VAL . 45.0 p -67.66 155.61 38.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 24' ' ' GLN . . . -49.0 125.2 14.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.4 mttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.526 0.679 . . . . 0.0 110.903 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.791 0.329 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.71 152.0 87.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 178.69 4.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.411 ' HB3' ' HB2' ' A' ' 34' ' ' PRO . 8.0 t -94.75 179.56 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.489 ' CG ' ' HA ' ' A' ' 95' ' ' SER . 30.3 tt0 -108.49 130.47 55.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 14' ' ' VAL . 28.6 m -82.99 109.88 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.38 17.99 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.926 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.3 p -119.03 106.72 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.085 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.7 mt -142.9 132.7 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -130.43 161.27 31.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -107.57 104.26 13.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.49 -54.47 39.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 12.1 mtp-105 -155.05 132.74 11.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.43 103.03 14.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.12 173.55 54.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.63 -46.63 65.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.3 p -117.95 14.61 14.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.08 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.9 m -153.33 152.04 30.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.4 t -135.1 138.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.7 t -105.37 138.19 41.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 81' ' ' PHE . 67.0 mt -115.42 174.72 5.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.3 tp -157.85 109.47 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.507 ' CG ' HG11 ' A' ' 83' ' ' VAL . 31.8 p90 -129.38 167.75 17.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.946 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.926 ' CG ' HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -132.2 160.06 37.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -52.03 144.23 21.4 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.639 0.733 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.411 ' HB2' ' HB3' ' A' ' 12' ' ' SER . 53.1 Cg_endo -69.76 174.06 10.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.22 -39.83 86.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.431 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 59.6 mt-30 -141.62 102.0 5.98 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.8 Cg_endo -69.73 -18.58 37.08 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 54.71 42.76 30.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.59 -161.08 24.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 40' ' ' ILE . 5.0 mp -97.02 126.39 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.407 ' HA ' HG22 ' A' ' 87' ' ' THR . 75.1 mt -96.77 119.63 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.11 -65.85 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.476 ' C ' ' CD ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -143.69 175.15 10.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.676 ' CE1' ' HB2' ' A' ' 85' ' ' ALA . 52.7 m-85 -119.31 120.82 38.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.502 ' OE2' ' N ' ' A' ' 61' ' ' LEU . 6.1 tp10 -86.97 143.38 27.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.45 HD12 HD23 ' A' ' 61' ' ' LEU . 15.2 mt -121.24 120.57 62.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . 80.0 tttt -99.86 117.45 34.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.567 ' CD2' HD21 ' A' ' 73' ' ' LEU . 54.8 p90 -132.84 122.95 25.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -140.1 165.16 28.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.63 112.84 4.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -54.25 -49.62 69.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.861 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.967 0.413 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.4 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 3.0 p -114.39 129.25 56.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.502 ' N ' ' OE2' ' A' ' 45' ' ' GLU . 11.0 tp -116.86 130.05 56.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -92.01 136.75 32.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.33 128.32 18.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.7 m -83.59 -33.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.42 167.2 11.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.6 p -81.98 16.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -140.43 125.81 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.95 165.77 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.5 m -132.65 107.14 8.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.6 t -70.05 106.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.6 m -111.11 143.52 41.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.66 46.56 0.96 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.567 HD21 ' CD2' ' A' ' 48' ' ' TYR . 8.6 mt -121.06 177.61 5.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -99.56 142.59 24.89 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.589 0.709 . . . . 0.0 110.882 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 162.53 41.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.374 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 39.42 47.95 2.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.0 m -145.37 116.49 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 111.146 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -57.28 145.69 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.51 ' CE1' HD22 ' A' ' 73' ' ' LEU . 9.8 m-85 -135.06 161.48 35.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.2 t -124.37 112.11 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.505 ' CD1' HD11 ' A' ' 29' ' ' LEU . 96.9 m-85 -101.26 153.41 19.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.557 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 26.3 mt-30 -156.4 118.12 3.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.507 HG11 ' CG ' ' A' ' 31' ' ' TRP . 96.4 t -99.09 135.73 33.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -142.7 152.44 42.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.676 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . . . -98.34 121.53 40.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -101.92 116.95 33.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 88' ' ' SER . 82.7 p -113.57 143.6 44.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 87' ' ' THR . 77.6 p -35.12 -38.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.45 -54.1 49.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.14 177.36 47.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.0 m -81.53 159.97 24.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -111.91 166.23 12.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -68.74 144.17 54.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 82' ' ' GLN . 6.8 m-85 -62.24 131.28 48.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 25.9 p -37.91 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.511 ' CG ' ' O ' ' A' ' 95' ' ' SER . 18.8 mt-30 -168.52 159.27 10.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.19 102.01 8.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.6 ttt -107.31 126.19 52.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -99.07 123.87 43.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 71.8 t -136.38 131.77 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -103.54 125.15 49.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.7 p -71.89 159.28 34.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.44 126.51 34.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.6 mttt . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.564 0.697 . . . . 0.0 110.873 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.817 0.341 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.44 145.93 18.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.552 0.692 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.502 ' HA ' ' OD1' ' A' ' 38' ' ' ASN . 54.2 Cg_endo -69.79 137.62 35.79 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m -59.5 159.78 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -82.86 148.08 27.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.51 ' O ' ' CB ' ' A' ' 95' ' ' SER . 52.9 t -94.02 123.18 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.0 m -112.62 13.44 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.576 HG11 ' HG2' ' A' ' 32' ' ' GLN . 85.5 t -118.88 105.46 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -142.3 132.08 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -130.45 152.79 49.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -96.36 111.46 23.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 13.5 mm-40 -76.75 -59.69 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 53.0 mtp85 -156.9 120.56 4.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . . . -101.66 102.08 12.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 26' ' ' SER . . . -71.83 -177.72 28.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -64.2 -52.76 57.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.9 p -114.51 15.92 17.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' GLY . 31.3 p -153.74 171.95 18.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.696 HG13 ' HB ' ' A' ' 70' ' ' VAL . 2.7 p -163.19 152.97 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 27' ' ' VAL . 11.1 t -117.25 143.24 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.429 HD22 ' HE1' ' A' ' 98' ' ' MET . 63.9 mt -120.39 171.61 8.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.444 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 7.8 tp -154.13 107.31 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.43 ' CE2' HG11 ' A' ' 83' ' ' VAL . 43.3 p90 -123.45 149.66 44.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.964 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.576 ' HG2' HG11 ' A' ' 16' ' ' VAL . 5.9 pt20 -98.33 157.98 15.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -52.47 146.91 15.55 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.643 0.735 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' GLN . 53.5 Cg_endo -69.82 139.79 40.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' PRO . 42.0 mt-10 -34.5 -34.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.504 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 8.5 mt-30 -151.11 102.04 2.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.504 ' OD1' ' O ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER 53.06 38.9 28.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.31 -165.08 14.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.9 mp -81.71 129.01 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 111.15 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.0 mt -96.2 125.8 48.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt -68.01 -53.33 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -166.43 166.31 16.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -106.15 140.08 39.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.56 135.08 45.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.3 mt -118.97 107.5 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.433 ' HZ3' ' HE2' ' A' ' 49' ' ' TYR . 18.3 tttm -103.16 124.19 48.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.585 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 3.9 p90 -133.55 132.87 41.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.433 ' HE2' ' HZ3' ' A' ' 47' ' ' LYS . 8.8 p90 -132.81 170.79 14.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' LYS . 3.5 mt-10 -64.55 102.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.449 ' HA ' HG23 ' A' ' 80' ' ' VAL . 22.4 tptp -36.62 -47.34 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.858 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.567 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 15.3 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.927 0.394 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 m -96.08 127.56 42.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.217 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tp -107.66 141.89 38.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -106.55 118.29 36.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.63 128.37 44.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.2 m -79.23 -35.74 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 67' ' ' ARG . 2.6 t -97.33 172.59 7.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.5 p -76.64 7.66 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.444 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 18.5 mtp180 -125.95 133.0 51.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.66 163.36 36.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.1 m -127.44 103.21 7.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.751 HG12 HD11 ' A' ' 73' ' ' LEU . 73.8 t -67.18 103.86 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.7 t -112.8 158.09 20.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.74 56.41 2.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.751 HD11 HG12 ' A' ' 70' ' ' VAL . 1.8 mt -127.77 177.79 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.898 0.38 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -103.93 140.5 21.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.535 0.683 . . . . 0.0 110.928 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 138.75 38.47 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.35 49.84 74.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.3 m -146.96 110.99 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 111.138 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -52.44 149.52 5.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -146.88 133.04 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 51' ' ' LYS . 82.3 t -95.08 106.87 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.14 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.733 ' HE1' HG11 ' A' ' 70' ' ' VAL . 94.7 m-85 -91.09 153.82 19.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -157.13 110.14 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.431 ' N ' ' OG ' ' A' ' 95' ' ' SER . 45.4 t -89.01 143.25 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 84' ' ' ARG . 1.3 ptp180 -142.65 160.5 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -107.52 143.3 36.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ttt85 -128.05 130.94 49.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 88' ' ' SER . 23.8 p -123.29 149.57 44.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 87' ' ' THR . 41.9 t -37.93 -47.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.51 -65.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -159.26 -141.06 3.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.6 m -131.76 159.47 38.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -100.43 -121.33 4.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -134.17 156.26 48.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.413 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 3.4 m-85 -75.0 132.3 41.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 27.3 p -52.21 178.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -60.55 148.4 38.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.58 106.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.429 ' HE1' HD22 ' A' ' 29' ' ' LEU . 2.1 ttt -95.37 142.63 27.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.424 ' N ' ' HG2' ' A' ' 98' ' ' MET . 29.6 mt-10 -120.51 124.05 44.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 79.5 t -144.99 131.54 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -100.75 120.46 40.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.6 p -52.38 -179.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.05 108.6 2.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.2 mttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 110.835 -179.955 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.79 0.328 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 153.56 89.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.726 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -174.91 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.479 ' CB ' ' H ' ' A' ' 36' ' ' GLN . 7.6 t -90.98 131.61 36.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -57.4 108.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -52.01 102.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -100.77 -2.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.627 HG11 ' HB2' ' A' ' 32' ' ' GLN . 33.4 t -92.55 104.77 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.9 mt -142.68 124.31 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -133.34 160.47 37.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -105.73 103.06 12.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -65.7 -58.6 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -141.78 169.07 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -151.46 122.75 7.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.21 -147.27 17.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -89.63 -53.19 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.4 p -117.76 17.96 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.8 p -141.91 160.74 39.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.7 t -154.96 132.33 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.4 t -96.94 135.84 38.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.571 HD11 ' CG ' ' A' ' 81' ' ' PHE . 30.3 mt -121.69 140.59 52.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.486 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 9.6 tp -128.29 109.5 11.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.47 ' CH2' HD11 ' A' ' 46' ' ' ILE . 43.5 p90 -121.2 144.75 48.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.627 ' HB2' HG11 ' A' ' 16' ' ' VAL . 9.6 mt-30 -94.65 161.77 14.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -57.71 160.63 7.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.695 0.759 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' GLN . 54.4 Cg_endo -69.71 122.12 8.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' PRO . 20.9 mt-10 -32.6 -35.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 34' ' ' PRO . 20.2 mt-30 -148.67 102.26 3.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.579 0.704 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -34.56 14.17 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.256 . . . . 0.0 112.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 56.56 35.65 26.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.68 -156.28 26.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.517 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.3 mp -101.36 141.82 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.493 ' HA ' HG22 ' A' ' 87' ' ' THR . 29.5 mt -107.76 132.0 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mt -81.21 -60.01 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -161.37 170.51 19.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 83.3 m-85 -109.49 149.13 30.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -119.38 144.2 47.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.523 HG12 HG22 ' A' ' 83' ' ' VAL . 13.2 mt -126.6 118.18 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -103.43 119.17 38.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -124.73 132.02 53.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 4.1 p90 -149.34 167.07 27.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -69.71 102.28 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.549 ' CB ' HG23 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -46.26 -31.35 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.458 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 21.9 t70 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.946 0.403 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.3 m -133.4 146.09 50.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 tp -122.49 155.23 36.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -120.18 133.83 55.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.71 133.06 23.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.4 m -86.9 -31.51 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.9 t -97.82 166.69 11.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.1 p -81.0 17.97 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.486 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 33.0 mtm180 -136.64 123.86 21.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.74 151.26 32.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.4 m -124.53 105.78 9.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 81' ' ' PHE . 87.2 t -64.94 108.74 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 t -111.12 155.43 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.99 40.2 4.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 mt -112.93 164.75 13.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -88.33 142.41 31.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.569 0.699 . . . . 0.0 110.932 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 150.06 67.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.258 . . . . 0.0 112.33 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 53.57 45.28 67.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 39.6 m -145.96 107.66 4.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 111.132 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -54.72 146.64 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -139.94 130.17 25.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.549 HG23 ' CB ' ' A' ' 51' ' ' LYS . 99.5 t -90.3 119.5 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CG ' HD11 ' A' ' 29' ' ' LEU . 96.0 m-85 -101.93 151.83 21.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.524 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 47.0 mt-30 -150.71 115.06 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.523 HG22 HG12 ' A' ' 46' ' ' ILE . 62.1 t -106.28 143.77 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.552 ' HD3' ' CD1' ' A' ' 94' ' ' PHE . 20.2 ptt180 -153.3 153.28 32.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.473 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -101.71 135.54 43.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -118.26 111.93 19.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.493 HG22 ' HA ' ' A' ' 41' ' ' ILE . 61.5 p -102.35 141.97 34.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 87' ' ' THR . 1.6 t -33.87 -42.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.56 -64.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.092 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.47 179.09 27.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.432 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 53.7 t -109.02 132.12 54.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -77.45 171.6 55.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -90.05 144.91 25.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.355 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.552 ' CD1' ' HD3' ' A' ' 84' ' ' ARG . 7.3 m-85 -57.43 131.39 49.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.6 t -58.22 175.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -52.29 145.66 10.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.06 109.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.477 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 1.4 tpt -79.09 146.87 32.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.477 ' N ' ' HG3' ' A' ' 98' ' ' MET . 10.6 mt-10 -124.12 124.24 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 96.2 t -155.44 140.48 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -109.15 148.1 31.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 46.5 p -91.67 172.77 8.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -68.48 127.82 23.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.701 . . . . 0.0 110.912 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.765 0.317 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.57 150.87 57.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.702 . . . . 0.0 111.062 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.492 ' HG3' HG23 ' A' ' 87' ' ' THR . 53.6 Cg_endo -69.77 148.57 65.28 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.383 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.0 p -71.39 131.05 42.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -54.72 121.52 8.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 16' ' ' VAL . 61.9 t -56.43 120.07 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.9 m -109.89 17.98 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.3 p -129.7 114.3 30.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.526 HG21 ' SD ' ' A' ' 98' ' ' MET . 18.9 mt -142.89 137.36 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -135.47 139.47 44.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -94.31 104.22 16.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.412 ' C ' ' HG2' ' A' ' 21' ' ' ARG . 13.4 mt-10 -58.42 -63.46 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HG2' ' C ' ' A' ' 20' ' ' GLU . 26.8 mmt85 -149.65 147.69 28.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.01 103.01 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.6 175.88 17.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -55.6 133.57 50.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.748 HG22 ' O ' ' A' ' 73' ' ' LEU . 27.2 p 39.87 32.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.8 p -154.61 146.33 23.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.0 t -156.29 131.06 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.2 t -101.21 129.91 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.61 HD11 ' CD1' ' A' ' 81' ' ' PHE . 94.8 mt -116.78 133.99 55.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.3 tp -127.58 102.02 6.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 45.9 p90 -112.99 143.71 43.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.492 ' OE1' ' N ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -91.82 148.09 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' A' ' 32' ' ' GLN . 2.7 mt-10 -51.95 150.13 8.17 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.642 0.734 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 138.33 37.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.3 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.44 -37.91 40.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 17.0 mm-40 -133.61 101.96 12.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.569 0.699 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 54.3 Cg_endo -69.69 -35.04 13.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 55.29 45.49 25.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.9 -163.29 25.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 40' ' ' ILE . 5.0 mp -98.5 126.41 51.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 111.148 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.469 ' HA ' HG22 ' A' ' 87' ' ' THR . 22.7 mt -91.71 110.53 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.21 -62.97 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -156.06 159.52 39.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 60.7 m-85 -99.59 135.78 40.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -102.29 137.55 40.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.603 HD12 HD23 ' A' ' 61' ' ' LEU . 13.8 mt -118.76 116.03 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . 51.3 tttt -100.29 115.38 29.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 59' ' ' SER . 33.1 p90 -128.04 126.83 42.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 4.0 p90 -144.1 165.53 27.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -54.6 111.08 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.752 ' HA ' HG23 ' A' ' 80' ' ' VAL . 13.8 tptp -42.07 -53.48 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 48' ' ' TYR . 4.9 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.973 0.416 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.7 m -126.85 145.42 50.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.603 HD23 HD12 ' A' ' 46' ' ' ILE . 8.6 tp -136.26 133.21 36.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -99.98 126.45 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.37 128.59 44.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.4 m -77.05 -35.86 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 t -99.14 169.6 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.6 p -80.97 15.3 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -134.62 123.33 23.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.11 145.04 21.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.7 m -114.1 103.82 11.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.15 103.03 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.4 m -110.91 135.13 51.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.26 37.14 0.76 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.748 ' O ' HG22 ' A' ' 25' ' ' THR . 19.9 mt -112.52 176.71 4.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.915 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' HZ2' HG21 ' A' ' 77' ' ' THR . 6.0 mtmp? -92.83 143.06 26.36 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 110.917 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.94 64.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.41 39.94 37.55 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.555 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.423 HG21 ' HZ2' ' A' ' 74' ' ' LYS . 88.0 m -135.33 112.91 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 0.0 111.167 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -55.25 151.41 9.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -144.14 152.89 41.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.752 HG23 ' HA ' ' A' ' 51' ' ' LYS . 98.9 t -112.03 111.34 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CD1' HD11 ' A' ' 29' ' ' LEU . 83.6 m-85 -95.57 150.4 20.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -153.34 108.12 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.418 ' HB ' HD11 ' A' ' 17' ' ' ILE . 59.5 t -91.26 143.1 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.405 ' HD3' ' CE1' ' A' ' 94' ' ' PHE . 28.8 ptt180 -146.32 158.58 43.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.449 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -112.99 126.66 55.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.428 ' C ' ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -114.0 135.96 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.492 HG23 ' HG3' ' A' ' 11' ' ' PRO . 60.1 p -129.35 152.92 48.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' THR . 94.1 p -38.44 -43.68 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.18 -59.02 4.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -160.82 -135.43 1.82 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 42.5 t -146.21 127.38 14.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.344 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -72.94 -174.49 26.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -95.72 157.25 15.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.352 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 47' ' ' LYS . 4.3 m-85 -71.16 132.66 45.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.1 p -52.07 177.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -58.94 144.9 43.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.63 107.27 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.526 ' SD ' HG21 ' A' ' 17' ' ' ILE . 16.5 ttt -92.15 147.1 23.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -121.75 123.58 42.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 75.6 t -145.6 141.16 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -112.87 149.27 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 62.6 p -90.18 179.22 5.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.13 136.32 25.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.798 0.332 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.5 150.87 52.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 174.57 9.32 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.408 ' HB2' ' H ' ' A' ' 36' ' ' GLN . 2.0 t -88.62 178.8 6.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.474 ' OE1' ' C ' ' A' ' 14' ' ' VAL . 0.7 OUTLIER -101.12 125.53 47.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 14' ' ' VAL . 15.1 m -74.06 112.81 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 m -100.17 17.92 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.0 t -117.49 105.3 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.453 HD12 ' OG ' ' A' ' 95' ' ' SER . 10.1 mt -141.72 127.47 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -134.29 145.27 48.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -90.73 112.11 23.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.457 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 3.6 mm-40 -69.43 -55.94 8.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -152.73 156.25 38.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.05 122.09 16.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -129.36 -159.78 9.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -67.31 122.55 18.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 p 42.41 31.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.3 p -148.4 134.64 19.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.496 HG11 ' CE2' ' A' ' 81' ' ' PHE . 95.9 t -145.49 141.62 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.2 t -109.27 141.14 41.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 81' ' ' PHE . 82.2 mt -121.49 151.82 39.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 30' ' ' LEU . 3.9 mt -136.16 113.23 10.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.567 ' CG ' HG11 ' A' ' 83' ' ' VAL . 31.8 p90 -133.36 163.81 28.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -123.27 163.82 19.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -54.33 145.9 34.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.7 Cg_endo -69.77 145.92 58.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 34' ' ' PRO . 35.0 mt-10 -32.27 -63.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.423 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 4.2 pt20 -122.31 102.03 40.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 54.2 Cg_endo -69.73 -25.56 28.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 53.23 38.97 28.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.91 171.22 12.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.498 ' H ' HD12 ' A' ' 40' ' ' ILE . 5.2 mp -67.66 133.94 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.468 HG21 ' CE1' ' A' ' 44' ' ' TYR . 50.4 mt -92.33 107.72 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -51.7 -56.48 13.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -167.85 161.21 12.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.468 ' CE1' HG21 ' A' ' 41' ' ' ILE . 41.9 m-85 -100.04 152.75 19.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 10.4 mt-10 -125.46 131.49 52.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.595 HD13 HD23 ' A' ' 61' ' ' LEU . 5.2 mp -110.11 135.6 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . 11.7 tttp -111.83 115.33 28.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.5 ' CE2' ' HB2' ' A' ' 59' ' ' SER . 30.9 p90 -123.65 119.34 29.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.409 ' CZ ' ' HB ' ' A' ' 80' ' ' VAL . 10.8 p90 -133.41 158.41 43.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -56.11 109.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' HA ' HG23 ' A' ' 80' ' ' VAL . 18.8 tptp -49.18 -53.34 21.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.872 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.5 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 24.7 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.96 0.41 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.4 m -119.67 138.61 53.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.595 HD23 HD13 ' A' ' 46' ' ' ILE . 9.6 tp -113.47 140.6 47.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -101.87 117.47 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.53 128.63 52.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.3 m -82.68 -35.11 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 66' ' ' THR . 1.5 t -98.89 175.53 5.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.446 ' N ' ' OG1' ' A' ' 65' ' ' THR . 20.6 p -82.2 15.85 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.433 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 61.6 mtt-85 -139.67 128.67 23.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.81 152.82 31.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.0 m -121.03 105.45 10.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.505 ' CG1' HD21 ' A' ' 73' ' ' LEU . 92.6 t -68.9 102.66 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 t -106.98 161.9 14.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.05 37.6 9.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.505 HD21 ' CG1' ' A' ' 70' ' ' VAL . 16.5 mt -104.34 178.97 4.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -87.08 133.47 38.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.519 0.676 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 145.21 56.34 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.65 42.31 51.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.6 m -143.43 116.05 8.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 111.177 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.412 ' HB3' ' CB ' ' A' ' 51' ' ' LYS . 33.4 mtt-85 -57.31 142.43 43.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -132.97 140.37 47.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 98' ' ' MET . 42.9 t -96.97 110.6 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.496 ' CE2' HG11 ' A' ' 27' ' ' VAL . 93.7 m-85 -91.67 153.53 19.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.487 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 45.6 mt-30 -157.63 116.56 3.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.567 HG11 ' CG ' ' A' ' 31' ' ' TRP . 67.4 t -88.92 148.25 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.462 ' HG2' ' CE1' ' A' ' 94' ' ' PHE . 4.0 ptp180 -151.96 160.08 43.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.61 170.33 8.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.7 ttm-85 -147.38 107.77 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 40' ' ' ILE . 9.7 p -124.53 149.21 47.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 p -39.52 -50.84 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.14 -60.71 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -147.32 -177.14 21.58 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 92' ' ' GLY . 78.6 m -112.14 17.2 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 91' ' ' CYS . . . 43.96 -169.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -112.39 159.45 18.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 82' ' ' GLN . 13.9 m-85 -59.74 171.23 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.458 ' HB3' HG23 ' A' ' 14' ' ' VAL . 78.5 p -79.03 -78.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 95' ' ' SER . 39.0 mt-30 -163.27 160.62 24.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.08 102.0 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.494 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 1.4 tpt -93.42 149.23 21.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.494 ' N ' ' HG3' ' A' ' 98' ' ' MET . 32.2 mt-10 -125.1 124.5 42.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 92.5 t -152.8 149.52 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -116.45 141.39 48.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 75.7 p -81.8 176.6 9.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.95 116.6 4.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.2 mttt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.524 0.678 . . . . 0.0 110.919 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 m -148.23 105.75 3.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.912 0.387 . . . . 0.0 110.853 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 m -86.07 124.92 33.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.72 136.03 13.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -165.92 169.9 14.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -149.18 145.25 27.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.38 -152.3 23.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -106.69 167.14 10.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 0.0 110.925 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.94 154.57 40.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.474 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -76.13 152.58 84.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.541 0.686 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 163.73 37.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -70.54 176.44 4.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -114.13 115.82 28.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.3 t -56.77 125.99 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 m -117.91 11.63 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.7 t -122.54 114.72 43.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.7 mt -142.13 136.54 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 mtt-85 -138.14 151.15 47.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.637 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 7.0 tt0 -93.81 120.9 34.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -83.01 -47.54 11.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.7 mtt85 -154.12 116.55 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.637 ' HB2' ' CD ' ' A' ' 19' ' ' GLN . . . -97.16 102.41 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' SER . . . -81.94 179.04 53.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -70.04 -44.73 68.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.3 p -117.1 -12.73 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' GLY . 64.0 p -124.17 144.49 49.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.64 143.9 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.3 t -106.68 161.04 15.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -136.47 162.57 32.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 14.0 tp -154.06 110.54 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.456 ' CD2' HG11 ' A' ' 83' ' ' VAL . 46.2 p90 -125.37 173.31 8.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 33' ' ' GLU . 4.2 pp0? -112.33 169.92 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.497 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 4.2 mt-10 -67.66 146.25 98.45 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.608 0.718 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' GLU . 54.0 Cg_endo -69.74 135.04 29.49 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.382 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' PRO . 35.6 mt-10 -35.21 -64.31 0.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 12.8 mm-40 -121.61 102.01 42.49 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.6 0.714 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 54.0 Cg_endo -69.75 -30.55 22.14 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 10' ' ' ALA . 60.0 m-20 60.21 43.37 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.96 -162.87 24.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.99 127.61 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 111.117 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.5 mt -90.21 121.88 40.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.2 mt -68.37 -55.39 12.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -166.34 157.53 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.447 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 83.3 m-85 -95.71 131.42 42.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.58 122.74 44.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.513 ' CG1' HG22 ' A' ' 83' ' ' VAL . 5.1 mp -103.99 139.63 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.168 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -113.87 118.59 34.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.509 ' CD2' HG11 ' A' ' 70' ' ' VAL . 48.3 p90 -128.74 128.0 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 4.2 p90 -146.75 156.46 43.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -53.24 110.59 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.42 ' HD3' ' CG2' ' A' ' 80' ' ' VAL . 49.7 tptt -49.57 -53.57 23.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -70.22 -42.31 72.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -101.78 105.97 16.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -88.18 102.23 14.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 30.0 mtm -88.29 131.95 34.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -49.85 -43.94 49.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.0 p -93.62 102.0 14.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -84.69 153.96 22.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 m -96.42 130.86 43.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.8 p -105.2 154.02 20.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.787 HD22 HG22 ' A' ' 70' ' ' VAL . 16.0 tp -130.46 126.99 38.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' CD ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -89.92 121.51 32.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.35 130.13 51.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.8 m -88.13 -26.28 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 66' ' ' THR . 1.8 t -114.41 175.38 5.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.436 ' N ' ' OG1' ' A' ' 65' ' ' THR . 58.0 p -70.95 0.93 6.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.502 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 24.3 mtp180 -117.87 140.85 49.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.58 160.2 42.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.1 m -141.6 114.05 8.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.787 HG22 HD22 ' A' ' 61' ' ' LEU . 73.0 t -85.71 117.63 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.5 m -115.05 154.91 27.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.85 36.96 4.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 48' ' ' TYR . 6.4 mt -113.64 176.29 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.934 0.397 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -102.85 143.37 26.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.701 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 160.87 48.09 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.34 42.5 18.32 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.2 m -141.98 121.2 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.759 0.314 . . . . 0.0 111.161 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.4 mtt-85 -64.47 145.35 56.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 35.6 m-85 -137.43 131.61 32.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.42 ' CG2' ' HD3' ' A' ' 51' ' ' LYS . 49.9 t -93.56 106.16 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.149 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 95.6 m-85 -89.98 152.11 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -154.44 107.98 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.513 HG22 ' CG1' ' A' ' 46' ' ' ILE . 48.8 t -93.31 137.77 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.496 ' HG2' ' CE1' ' A' ' 94' ' ' PHE . 25.6 ptt180 -143.53 152.92 42.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.447 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -98.46 136.82 38.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -120.49 133.38 55.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 33.5 p -130.01 145.47 51.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.8 t -41.72 -44.92 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.43 -56.14 10.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.63 -139.72 2.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 78.7 m -143.5 144.97 32.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.366 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.8 -174.54 32.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.6 mtt85 -86.13 169.28 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.496 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 10.3 m-85 -90.06 145.23 25.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.9 p -60.24 177.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -61.73 150.81 35.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.59 102.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.7 ttt -90.22 127.71 36.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -103.59 124.2 48.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 77.0 t -140.46 138.14 36.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -115.9 129.35 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.7 p -73.47 170.5 15.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.48 124.44 10.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.527 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -61.82 149.07 86.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.616 0.722 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 106' ' ' SER . 53.6 Cg_endo -69.77 -33.1 17.24 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 105' ' ' PRO . 98.7 p -35.02 -45.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -169.97 -168.75 32.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 176.75 6.33 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.711 2.274 . . . . 0.0 112.366 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 t -74.27 -50.31 19.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.0 p -110.39 156.34 20.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.1 p -117.12 169.19 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 4' ' ' GLY . 4.1 m -123.96 168.0 13.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 37.06 -121.2 0.76 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -72.91 102.55 3.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.858 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 m -46.27 -47.09 18.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.99 -130.86 2.18 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.96 174.79 5.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.92 170.0 8.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.602 ' HB1' ' O ' ' A' ' 91' ' ' CYS . . . -69.39 146.56 96.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 140.88 43.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.4 p -56.62 168.1 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -99.76 130.85 46.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.3 t -65.98 124.86 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.2 m -116.84 17.86 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.59 HG11 ' CG ' ' A' ' 32' ' ' GLN . 3.4 p -134.63 112.02 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.7 mt -141.89 136.66 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.2 mtt-85 -133.77 172.07 13.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.537 ' NE2' ' HB2' ' A' ' 22' ' ' ALA . 7.5 tt0 -118.21 116.46 26.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.14 -55.29 6.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -145.63 131.56 19.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.537 ' HB2' ' NE2' ' A' ' 19' ' ' GLN . . . -106.25 111.25 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.26 -171.15 36.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.465 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -73.62 -54.59 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.9 p -116.74 16.84 15.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.3 p -147.91 143.9 27.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.0 t -139.69 128.81 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.3 t -92.84 146.42 23.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 81' ' ' PHE . 89.6 mt -124.59 152.56 43.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.3 tp -139.87 111.81 7.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 40.2 p90 -129.16 143.28 50.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.59 ' CG ' HG11 ' A' ' 16' ' ' VAL . 2.7 pt20 -96.25 163.28 13.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -52.88 138.86 43.57 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.64 0.733 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 164.65 33.69 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -45.98 -68.25 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -129.02 102.0 19.32 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.648 0.737 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.4 37.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.383 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 56.09 40.48 30.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.1 179.02 15.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.48 ' H ' HD12 ' A' ' 40' ' ' ILE . 5.3 mp -77.77 125.74 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.497 ' HA ' HG22 ' A' ' 87' ' ' THR . 42.8 mt -86.16 118.23 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.0 mt -59.26 -56.16 25.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' CD ' ' HD2' ' A' ' 62' ' ' LYS . 15.3 pt-20 -157.44 158.5 35.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -100.78 128.09 46.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HG3' ' NZ ' ' A' ' 62' ' ' LYS . 30.5 tt0 -91.77 122.23 34.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.2 mt -107.89 111.19 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -100.37 119.77 38.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -136.39 125.36 24.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.498 ' CE1' ' HG2' ' A' ' 54' ' ' GLU . 14.5 p90 -134.25 164.29 27.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.461 ' CB ' ' HB2' ' A' ' 53' ' ' LYS . 4.7 mt-10 -55.39 107.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.523 ' HA ' HG23 ' A' ' 80' ' ' VAL . 33.5 tptt -45.14 -51.08 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -72.94 -41.68 64.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.461 ' HB2' ' CB ' ' A' ' 50' ' ' GLU . 11.4 mmpt? -99.29 102.08 13.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.498 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 5.6 tm-20 -102.77 103.45 13.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.452 ' HE1' ' HB2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -119.69 169.81 9.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.866 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -61.51 -44.61 96.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.4 t -64.57 110.37 2.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -120.75 153.66 36.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.7 p -96.62 150.74 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.86 128.88 25.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 tp -115.58 129.01 56.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.958 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.437 ' HD2' ' CD ' ' A' ' 43' ' ' GLU . 14.3 mmtm -96.25 138.62 33.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.89 130.88 17.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.4 m -81.63 -33.01 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.552 HG23 ' H ' ' A' ' 67' ' ' ARG . 9.7 t -95.75 169.19 10.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.9 p -79.99 14.04 1.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.552 ' H ' HG23 ' A' ' 65' ' ' THR . 43.1 mtt85 -134.48 118.84 17.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.63 154.73 46.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.8 m -123.04 127.11 48.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.405 HG21 ' HE1' ' A' ' 81' ' ' PHE . 93.5 t -88.44 124.29 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.1 p -124.35 158.1 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.31 41.05 6.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.0 mt -111.13 177.86 4.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -109.7 144.02 29.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.563 0.697 . . . . 0.0 110.916 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 154.95 67.3 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.64 2.227 . . . . 0.0 112.356 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.9 48.94 18.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 94.5 m -146.49 117.19 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -64.78 142.65 58.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -135.61 132.19 36.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' A' ' 51' ' ' LYS . 46.2 t -92.39 104.62 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.433 ' CD1' HD11 ' A' ' 29' ' ' LEU . 95.0 m-85 -83.85 154.62 23.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -157.97 102.79 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.0 t -92.92 142.02 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.567 ' HD3' ' CZ ' ' A' ' 94' ' ' PHE . 27.6 ptt85 -145.64 156.01 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.77 142.45 34.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.7 ttt85 -134.47 139.54 45.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 41' ' ' ILE . 76.0 p -127.63 172.26 10.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -64.66 -35.41 80.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.39 -62.37 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -146.89 -158.62 7.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.602 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 21.6 p -132.04 162.07 31.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.861 0.362 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.09 -166.17 19.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -98.23 177.81 5.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.567 ' CZ ' ' HD3' ' A' ' 84' ' ' ARG . 6.5 m-85 -96.64 137.41 35.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.2 t -55.56 161.43 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -52.15 149.03 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.79 105.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.5 ttt -91.32 124.75 35.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -100.1 125.16 46.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 76.8 t -148.53 131.93 7.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -102.52 149.24 24.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 39.1 p -95.83 175.27 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.077 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -72.16 118.94 7.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -61.98 155.08 65.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.546 0.689 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -3.41 11.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 t -118.2 124.04 46.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 143.33 177.98 18.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 122.3 8.97 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.1 t -140.42 120.8 14.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.5 p -47.97 -28.11 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.487 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.1 p -67.58 -51.13 54.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.903 0.382 . . . . 0.0 110.819 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -153.6 143.16 21.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.86 155.78 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -106.11 124.78 50.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.863 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.4 p -111.16 176.54 4.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.77 -126.17 8.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.447 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -124.85 171.91 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.05 163.77 23.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.554 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -85.84 159.19 55.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.73 . . . . 0.0 111.079 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.554 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 53.7 Cg_endo -69.71 145.58 57.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.715 2.276 . . . . 0.0 112.351 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 p -59.24 171.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -93.89 118.85 32.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.06 125.71 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -118.02 15.52 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.2 t -118.71 107.85 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.51 HD11 ' CB ' ' A' ' 95' ' ' SER . 83.9 mt -142.2 136.43 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -136.38 173.5 11.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -115.27 103.57 10.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.29 -51.43 57.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.5 mtm-85 -148.19 144.13 27.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.18 114.85 18.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.86 -162.62 26.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -80.06 -53.31 6.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.7 p -117.02 17.36 14.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.7 p -143.34 157.12 44.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.1 t -154.97 143.11 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.176 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.7 t -113.07 150.78 31.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -129.31 155.08 46.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 10.3 tp -138.71 114.71 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.512 ' CD2' HG11 ' A' ' 83' ' ' VAL . 37.3 p90 -133.18 143.01 48.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -91.46 159.12 16.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -55.54 149.73 28.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.7 Cg_endo -69.8 140.71 43.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 34' ' ' PRO . 37.2 mt-10 -37.42 -54.49 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.43 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 77.7 mt-30 -128.3 102.01 21.39 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.8 Cg_endo -69.73 -26.7 27.45 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.747 2.298 . . . . 0.0 112.361 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 55.16 42.75 30.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.12 -171.15 22.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp -86.67 128.46 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.341 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.856 HD13 ' OH ' ' A' ' 44' ' ' TYR . 47.7 mt -87.83 118.05 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.9 -59.34 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -154.02 172.35 17.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.856 ' OH ' HD13 ' A' ' 41' ' ' ILE . 47.3 m-85 -120.04 114.99 22.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.486 ' CB ' ' HD3' ' A' ' 84' ' ' ARG . 0.4 OUTLIER -82.82 127.51 33.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.438 HD11 ' CH2' ' A' ' 31' ' ' TRP . 11.8 mt -115.12 126.71 72.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . 35.5 tttt -105.57 125.05 50.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.475 ' CD2' HG11 ' A' ' 70' ' ' VAL . 4.7 p90 -132.19 129.39 39.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.584 ' CE1' ' HG2' ' A' ' 54' ' ' GLU . 27.8 p90 -144.16 164.0 31.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.1 108.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.453 ' HD3' HG22 ' A' ' 80' ' ' VAL . 19.4 tptp -47.39 -54.71 10.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -68.65 -42.0 78.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -102.2 102.76 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.584 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 10.2 tm-20 -102.91 111.18 23.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.41 ' CE ' ' O ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -117.89 166.48 12.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -63.96 -40.85 97.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.41 ' O ' ' CE ' ' A' ' 55' ' ' MET . 66.0 p -76.97 109.71 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -118.19 153.89 33.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.36 151.72 19.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.8 m -131.2 148.89 52.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.3 tp -130.75 127.42 38.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -92.0 135.94 33.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -136.78 129.71 30.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.164 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.69 -26.26 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 67' ' ' ARG . 0.2 OUTLIER -107.22 171.58 7.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.43 ' N ' ' OG1' ' A' ' 65' ' ' THR . 33.7 p -74.28 5.2 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.467 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 43.3 mtt180 -128.04 136.17 50.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.78 163.24 39.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.2 m -136.83 118.24 14.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.589 HG21 ' HE1' ' A' ' 81' ' ' PHE . 39.3 t -86.12 107.35 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.6 m -107.69 157.44 18.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.68 42.2 5.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.2 mt -113.53 172.57 6.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -96.79 141.16 22.67 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.714 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.88 48.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.7 50.58 8.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.6 m -151.12 118.42 5.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 0.0 111.164 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -65.62 139.8 58.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -130.24 140.39 50.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.453 HG22 ' HD3' ' A' ' 51' ' ' LYS . 60.2 t -99.48 111.09 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.589 ' HE1' HG21 ' A' ' 70' ' ' VAL . 90.3 m-85 -96.28 150.51 20.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.532 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 61.6 mt-30 -151.09 112.93 4.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.512 HG11 ' CD2' ' A' ' 31' ' ' TRP . 44.3 t -91.65 140.1 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.601 ' HD2' ' CE1' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -140.99 153.52 45.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.582 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -108.16 143.42 36.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -133.73 130.46 38.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.9 p -121.49 170.78 9.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 t -60.11 -45.28 93.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.28 -59.3 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.5 -143.6 3.76 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.8 t -155.97 142.73 18.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -80.28 -134.97 1.39 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.467 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 73.1 mtt85 -141.86 165.53 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.601 ' CE1' ' HD2' ' A' ' 84' ' ' ARG . 4.8 m-85 -64.12 150.2 46.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.51 ' CB ' HD11 ' A' ' 17' ' ' ILE . 25.9 m -75.75 176.88 7.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -52.03 143.75 13.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.62 102.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.432 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 2.7 tpt -85.71 145.07 27.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 98' ' ' MET . 23.9 mt-10 -123.44 124.92 43.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.5 t -142.45 136.25 27.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -112.16 138.72 48.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.5 p -90.87 167.83 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -72.53 122.87 8.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.464 ' N ' ' HD3' ' A' ' 104' ' ' LYS . 1.4 mppt? -57.75 156.23 18.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.647 0.737 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 96.1 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.665 2.243 . . . . 0.0 112.329 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -75.62 120.46 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -138.75 -179.28 17.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 89.88 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.0 m -90.03 177.61 6.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 78.6 p -103.88 159.63 15.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -71.98 169.74 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.849 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.5 p -98.88 152.98 19.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.61 108.96 2.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -79.43 121.8 25.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.383 . . . . 0.0 110.851 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.4 p -37.65 -46.24 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.94 -103.14 0.56 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -118.34 171.04 8.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.05 125.88 30.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.506 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -64.43 157.95 69.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.546 0.688 . . . . 0.0 111.097 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.506 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 53.2 Cg_endo -69.8 154.06 68.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.318 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 p -71.92 147.65 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.456 ' OE1' ' C ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -72.98 125.46 27.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.456 ' C ' ' OE1' ' A' ' 13' ' ' GLN . 57.5 t -62.64 103.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -96.18 5.97 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 p -118.01 108.18 23.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 79.2 mt -142.38 143.66 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -141.55 173.1 11.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -122.98 110.74 15.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.468 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 2.4 mm-40 -69.34 -56.42 7.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.0 mtm105 -148.03 143.29 27.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.98 141.32 52.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -134.86 -164.87 10.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -67.15 -61.22 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -117.39 17.86 14.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.6 p -137.05 144.63 43.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.4 t -154.49 137.01 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.1 t -107.68 147.47 30.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.7 mt -133.07 136.2 45.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 30' ' ' LEU . 5.9 mt -116.36 126.38 53.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 26.4 p90 -145.56 130.35 18.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -91.37 170.3 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -52.06 135.49 38.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.712 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 165.7 30.11 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.61 2.207 . . . . 0.0 112.372 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -41.77 -67.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -133.55 102.0 12.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.712 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.444 ' HB3' HD11 ' A' ' 41' ' ' ILE . 53.9 Cg_endo -69.76 -16.83 37.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 56.73 47.32 18.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.77 -166.96 13.86 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mp -87.5 124.53 40.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.444 HD11 ' HB3' ' A' ' 37' ' ' PRO . 44.0 mt -85.74 109.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.3 mt -46.42 -55.91 6.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.502 ' C ' ' CD ' ' A' ' 43' ' ' GLU . 0.5 OUTLIER -159.5 165.32 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -103.84 110.04 22.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -78.42 128.33 33.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.5 mt -115.41 115.5 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -107.83 115.28 29.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 59' ' ' SER . 2.0 p90 -121.55 125.15 46.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.579 ' CE1' ' HG2' ' A' ' 54' ' ' GLU . 4.2 p90 -130.7 165.43 22.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.04 116.35 4.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.579 ' HA ' HG23 ' A' ' 80' ' ' VAL . 19.2 tptm -42.82 -49.48 5.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -74.07 -41.28 61.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -104.54 107.34 18.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.579 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 9.7 mt-10 -103.05 -36.16 8.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.48 ' HE3' ' HB2' ' A' ' 54' ' ' GLU . 25.1 mmt -66.41 -38.44 87.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -55.45 166.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.9 t -53.91 141.1 28.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -118.21 153.83 33.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.962 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.576 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 49.6 m -99.65 134.38 42.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.0 m -113.99 137.04 52.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.8 tp -122.57 149.31 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -116.81 126.63 53.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.92 135.0 51.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.052 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.4 m -91.06 -29.84 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.9 OUTLIER -104.05 174.74 5.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.453 ' N ' ' OG1' ' A' ' 65' ' ' THR . 16.2 p -80.29 14.51 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.466 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 53.2 mtt85 -139.96 119.8 13.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.98 157.89 44.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.0 m -129.42 115.78 18.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.4 t -80.04 111.52 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.6 m -112.37 160.33 17.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.5 39.86 9.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.406 HD21 ' CE2' ' A' ' 48' ' ' TYR . 28.5 mt -106.72 178.37 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.939 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -101.17 132.27 22.15 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.729 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 164.38 34.72 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 42.82 43.13 5.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.4 m -145.64 115.43 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 111.154 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -61.05 137.18 58.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -128.56 156.94 42.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.579 HG23 ' HA ' ' A' ' 51' ' ' LYS . 89.9 t -118.08 106.91 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 97.8 m-85 -90.06 147.31 23.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -149.13 109.04 4.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.48 139.6 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.596 ' HG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -144.14 142.22 30.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.17 121.85 41.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -108.93 121.71 45.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 88' ' ' SER . 39.2 p -107.18 145.21 32.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 87' ' ' THR . 8.1 t -34.82 -43.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.13 -64.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -152.14 -143.97 3.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.6 p -135.33 160.75 37.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.817 0.341 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.88 162.08 13.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -61.67 147.57 45.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.814 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.596 ' CZ ' ' HG2' ' A' ' 84' ' ' ARG . 9.0 m-85 -70.33 154.13 42.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.433 ' HA ' ' CD ' ' A' ' 13' ' ' GLN . 87.7 p -64.55 168.13 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -56.58 144.3 32.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.39 102.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.3 ttt -94.77 128.13 41.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -99.38 127.08 45.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 87.2 t -140.48 132.17 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -105.25 134.07 48.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 58.0 p -83.86 165.75 18.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -63.76 136.47 41.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -71.2 148.56 93.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.8 3.21 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.8 m -114.84 153.12 31.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 158.75 151.11 5.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.442 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 118.17 5.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.2 t -42.09 -51.14 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.4 t -59.38 -61.19 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -79.34 -56.18 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -160.3 158.53 29.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.37 48.62 0.1 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -108.46 160.25 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 t -74.16 160.66 30.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.07 -87.31 0.85 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -125.5 177.75 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.73 145.58 46.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.3 149.14 49.73 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.63 0.728 . . . . 0.0 111.063 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.533 ' HG3' HG23 ' A' ' 87' ' ' THR . 53.6 Cg_endo -69.72 170.07 17.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.266 . . . . 0.0 112.341 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -84.67 121.16 27.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -54.19 123.58 13.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.1 t -56.54 122.79 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.6 m -117.72 13.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.69 HG11 ' HG2' ' A' ' 32' ' ' GLN . 3.0 p -126.27 110.33 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.452 HD11 ' HB ' ' A' ' 83' ' ' VAL . 65.5 mt -142.02 144.25 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtp-105 -140.72 169.68 17.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.648 ' OE1' HG11 ' A' ' 100' ' ' VAL . 19.1 tt0 -117.85 105.02 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.456 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 4.5 mm-40 -64.59 -68.09 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 9.6 mtp-105 -132.89 135.69 45.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.3 103.01 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.64 -152.88 24.27 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -88.26 -51.95 5.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.6 p -117.9 17.72 14.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.3 p -147.83 141.65 25.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.6 t -143.78 135.51 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.5 t -99.38 155.54 17.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.7 mt -136.91 140.18 42.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.473 ' CD2' ' HG2' ' A' ' 67' ' ' ARG . 5.6 mt -120.47 126.04 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.542 ' CH2' HD11 ' A' ' 46' ' ' ILE . 33.2 p90 -145.35 131.39 19.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.69 ' HG2' HG11 ' A' ' 16' ' ' VAL . 8.0 pt20 -94.04 164.19 13.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -54.82 146.31 37.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 157.58 59.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.367 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -47.93 -54.8 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.412 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 23.1 mt-30 -129.74 103.58 17.45 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.584 0.707 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.9 Cg_endo -69.74 -28.05 25.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 52.6 44.28 30.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.34 -173.61 21.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mp -87.93 124.09 40.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.77 0.319 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.458 ' HA ' HG22 ' A' ' 87' ' ' THR . 18.4 mt -84.23 106.17 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.8 -60.79 2.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -158.72 159.18 34.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -96.47 114.43 26.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.79 117.42 23.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.6 HG12 HG22 ' A' ' 83' ' ' VAL . 18.0 mt -102.92 120.36 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -101.32 115.2 29.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.447 ' CE2' ' HB3' ' A' ' 59' ' ' SER . 42.9 p90 -125.57 125.26 42.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.689 ' CE1' ' CG ' ' A' ' 54' ' ' GLU . 3.8 p90 -143.21 159.2 42.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.6 mt-10 -69.84 119.86 14.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -45.58 -48.84 14.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.76 -45.75 74.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -88.95 18.04 5.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.689 ' CG ' ' CE1' ' A' ' 49' ' ' TYR . 7.1 tm-20 -44.28 -35.71 2.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.483 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 20.2 mmt -79.79 -54.87 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' MET . 9.3 tp60 -33.18 -68.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -164.35 160.58 21.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -125.3 147.42 49.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.447 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 1.4 t -100.56 156.53 17.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.9 m -131.38 146.97 52.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.5 tp -138.13 151.98 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.17 134.99 54.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.51 132.05 38.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.6 m -89.09 -28.55 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.108 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.6 OUTLIER -103.37 172.71 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.434 ' N ' ' OG1' ' A' ' 65' ' ' THR . 42.7 p -80.53 11.31 3.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.473 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 35.8 mtm180 -135.62 127.47 29.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -143.91 165.58 27.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.2 m -140.27 110.78 6.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.519 HG21 ' CE1' ' A' ' 81' ' ' PHE . 81.4 t -74.07 115.0 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.154 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 t -116.47 157.74 24.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.36 40.47 6.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.489 HD22 ' CE1' ' A' ' 79' ' ' TYR . 12.2 mt -110.48 173.97 6.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.889 0.376 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.1 mtmm -102.4 139.88 20.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 162.7 41.03 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.362 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 42.93 44.68 5.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.6 m -143.59 119.86 10.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 111.142 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -59.05 139.67 56.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.489 ' CE1' HD22 ' A' ' 73' ' ' LEU . 11.3 m-85 -129.09 158.88 37.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.484 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 27.6 t -128.91 113.98 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.519 ' CE1' HG21 ' A' ' 70' ' ' VAL . 95.5 m-85 -101.8 149.13 24.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -152.61 105.71 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.6 HG22 HG12 ' A' ' 46' ' ' ILE . 24.7 t -92.26 142.52 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.554 ' HD3' ' CZ ' ' A' ' 94' ' ' PHE . 22.9 ptt180 -145.84 147.05 31.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.48 131.48 46.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -123.2 123.61 41.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.533 HG23 ' HG3' ' A' ' 11' ' ' PRO . 72.8 p -109.98 152.03 26.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 87' ' ' THR . 94.3 p -34.82 -42.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.72 -60.64 3.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.061 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -164.87 -173.46 33.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 28.5 p -106.97 142.17 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.87 163.56 21.45 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.48 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -55.68 176.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.554 ' CZ ' ' HD3' ' A' ' 84' ' ' ARG . 6.5 m-85 -96.94 147.16 24.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.0 p -59.34 178.06 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -63.46 137.89 58.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.49 104.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.2 ttt -102.15 121.26 41.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -102.86 129.16 49.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.648 HG11 ' OE1' ' A' ' 19' ' ' GLN . 88.3 t -138.02 131.85 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -101.14 135.76 42.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 57.3 p -83.76 169.01 15.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -69.38 131.43 24.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 104' ' ' LYS . 0.2 OUTLIER -61.15 154.16 63.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.554 0.692 . . . . 0.0 110.878 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -11.18 30.3 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.724 2.283 . . . . 0.0 112.316 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.7 p -65.73 -41.1 92.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 152.29 172.29 20.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 85.9 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.379 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 82.9 p -132.8 120.69 21.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.4 p -72.79 -53.84 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.501 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -130.96 137.17 49.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.8 m -83.07 -60.91 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 167.91 62.49 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 63.9 p -37.06 -55.96 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t -69.85 108.18 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.84 -137.87 13.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -141.79 152.54 43.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.27 150.58 6.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.02 151.48 81.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.534 0.683 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 143.31 50.47 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -57.14 164.45 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' A' ' 94' ' ' PHE . 25.7 tt0 -93.3 129.76 39.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.451 ' O ' ' CB ' ' A' ' 95' ' ' SER . 90.9 t -68.8 115.8 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.8 m -116.89 15.95 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.554 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.9 p -126.14 109.12 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.6 mt -142.07 147.22 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -143.08 173.62 11.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -119.19 111.03 17.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 2.5 mm-40 -72.8 -60.17 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -139.26 135.65 34.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.07 111.43 21.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.43 -169.45 30.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.504 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -73.74 -55.52 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.1 p -114.92 17.24 17.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.0 p -143.87 150.78 38.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.6 t -151.47 137.6 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.1 t -105.66 152.71 22.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.515 HD11 ' CD2' ' A' ' 81' ' ' PHE . 16.6 mt -137.49 138.46 39.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' HG ' ' CG ' ' A' ' 20' ' ' GLU . 5.8 mt -117.37 126.63 53.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 30.5 p90 -145.52 131.71 19.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.554 ' CG ' HG11 ' A' ' 16' ' ' VAL . 1.6 pt20 -91.06 160.51 15.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -52.36 148.37 12.16 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.667 0.746 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.55 63.11 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.238 . . . . 0.0 112.34 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -45.54 -48.7 14.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -136.74 102.39 9.43 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -24.34 29.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 53.19 41.67 32.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.89 160.54 10.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.644 ' H ' HD12 ' A' ' 40' ' ' ILE . 5.3 mp -62.2 128.77 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 37.0 mt -91.89 106.98 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 mt -51.55 -57.9 7.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -156.88 171.94 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -112.05 124.93 53.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -90.7 126.95 36.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 60' ' ' THR . 19.0 mt -110.52 135.26 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -124.37 116.03 21.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.522 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 7.0 p90 -125.49 139.52 53.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.409 ' HB2' ' SD ' ' A' ' 55' ' ' MET . 10.4 p90 -153.37 173.04 16.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 54' ' ' GLU . 7.1 mt-10 -77.91 114.08 16.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.624 ' HB3' HG23 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -70.39 -26.87 63.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.31 -41.63 39.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -92.48 -50.96 5.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 50' ' ' GLU . 3.9 tt0 68.04 43.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.579 ' N ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -52.62 -179.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -88.67 -68.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 t -62.28 102.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.408 ' HA ' ' HE3' ' A' ' 55' ' ' MET . 38.1 p90 -98.01 154.44 17.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 m -96.14 133.54 40.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.802 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 46' ' ' ILE . 7.5 m -113.8 146.78 39.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.5 tp -126.99 133.2 50.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.71 127.42 45.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 68' ' ' ALA . . . -127.6 128.27 45.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.08 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 m -80.9 -34.35 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 t -98.94 173.56 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.4 p -78.61 8.65 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.44 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 73.3 mtt180 -129.88 119.53 23.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.411 ' HB2' ' CB ' ' A' ' 63' ' ' ALA . . . -139.29 154.52 47.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.1 m -130.6 108.58 10.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.504 HG13 ' CZ ' ' A' ' 48' ' ' TYR . 89.1 t -71.88 115.34 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.168 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 t -112.16 158.58 19.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.42 39.19 6.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.491 HD21 ' CD2' ' A' ' 48' ' ' TYR . 46.3 mt -107.05 174.32 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -101.49 139.05 20.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.563 0.697 . . . . 0.0 110.893 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 151.45 69.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.396 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.54 39.87 67.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.458 ' CG2' ' HG2' ' A' ' 50' ' ' GLU . 97.6 m -144.05 110.77 5.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.766 0.317 . . . . 0.0 111.111 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.2 mtt85 -57.06 148.58 21.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -137.57 132.23 32.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.624 HG23 ' HB3' ' A' ' 51' ' ' LYS . 46.8 t -94.31 102.19 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.522 ' CD2' ' HB3' ' A' ' 48' ' ' TYR . 88.7 m-85 -85.83 156.64 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -155.22 108.48 2.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.9 t -92.59 139.48 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.575 ' HD2' ' CE1' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -143.54 154.52 43.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.31 139.63 34.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -122.77 125.11 44.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.0 p -122.21 158.65 28.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 t -56.24 -44.81 79.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.807 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.82 -49.41 65.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.32 -129.49 1.12 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.0 p -149.81 168.93 22.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -114.75 -137.46 6.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -123.91 164.95 18.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.575 ' CE1' ' HD2' ' A' ' 84' ' ' ARG . 8.8 m-85 -82.32 140.31 33.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 39.7 p -57.61 178.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -65.11 138.58 58.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.67 102.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 6.8 ttt -94.46 130.13 40.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -103.28 123.88 47.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.1 t -141.61 138.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -110.56 150.93 28.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 73.6 p -97.64 170.13 9.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.11 117.16 10.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.468 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -53.7 149.41 16.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -41.11 4.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.646 2.231 . . . . 0.0 112.329 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.7 m -40.41 -50.36 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.779 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -128.35 -174.29 13.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.52 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 m -126.53 155.08 42.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.1 p -133.29 119.48 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.512 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.8 p -52.09 -48.43 64.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 m -93.65 149.06 21.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.77 -99.1 0.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -56.22 115.5 2.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.919 0.39 . . . . 0.0 110.839 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t -77.86 -44.26 27.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.804 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.64 -134.52 3.31 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.514 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 26.9 mp0 -137.1 126.12 24.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 0.0 110.889 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.18 127.38 28.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.36 140.89 97.79 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.545 0.688 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.01 36.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.313 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -70.54 141.63 51.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -75.89 119.03 19.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.8 t -56.68 119.29 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 m -114.06 16.16 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.57 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.7 p -126.44 108.2 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.41 HD12 ' HB3' ' A' ' 95' ' ' SER . 35.2 mt -140.31 123.82 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.507 ' HD2' HD23 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -137.53 170.77 15.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.721 ' OE1' HG11 ' A' ' 100' ' ' VAL . 12.9 tt0 -109.85 130.16 55.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.632 ' HG3' HD22 ' A' ' 30' ' ' LEU . 3.8 mt-10 -90.22 -41.9 11.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -157.74 129.4 6.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.87 128.81 49.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.48 178.1 19.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -71.36 -49.66 40.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.3 p -115.47 8.91 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.5 p -141.58 166.16 25.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.8 t -153.64 131.34 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.3 t -96.08 141.6 29.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.3 mt -115.52 166.33 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.632 HD22 ' HG3' ' A' ' 20' ' ' GLU . 14.0 tp -152.09 116.73 5.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.417 ' CD2' HG11 ' A' ' 83' ' ' VAL . 23.6 p90 -144.5 128.69 17.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.57 ' CG ' HG11 ' A' ' 16' ' ' VAL . 3.6 pt20 -91.12 165.11 13.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -52.08 147.61 12.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 174.83 8.93 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.743 2.295 . . . . 0.0 112.328 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -60.73 -45.35 94.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -147.73 101.97 3.69 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -19.69 36.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.267 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 56.1 42.89 27.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.58 -172.55 18.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp -81.94 129.35 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.538 HG23 ' O ' ' A' ' 86' ' ' ARG . 72.5 mt -92.67 121.71 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.51 -61.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -159.87 164.83 33.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 85' ' ' ALA . 45.7 m-85 -105.14 117.57 34.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.407 ' CD ' ' HG3' ' A' ' 62' ' ' LYS . 4.2 mm-40 -86.35 156.54 20.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.457 HG12 HG22 ' A' ' 83' ' ' VAL . 9.3 mt -135.43 126.31 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -103.19 117.37 34.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -130.23 129.68 43.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -153.07 157.77 40.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.466 ' CB ' ' HB2' ' A' ' 53' ' ' LYS . 3.5 mt-10 -57.38 118.76 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -62.57 -38.6 90.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' C ' ' HG2' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -86.82 10.89 14.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.466 ' HB2' ' CB ' ' A' ' 50' ' ' GLU . 55.7 mmtt -147.56 177.89 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -157.96 109.5 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.83 135.15 34.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -42.07 -38.04 1.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 t -119.04 102.26 8.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -65.8 154.92 37.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.5 m -95.08 127.24 40.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.8 m -114.9 148.98 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.4 tp -127.64 130.78 49.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.407 ' HG3' ' CD ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -90.15 128.6 36.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.821 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.03 131.69 52.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.094 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.9 m -88.48 -32.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 67' ' ' ARG . 1.6 t -97.59 168.75 10.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.2 p -79.85 12.96 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.455 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 54.1 mtt180 -146.81 118.06 7.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.58 165.88 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.8 m -133.77 108.44 8.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.8 t -72.4 106.63 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.7 t -102.54 160.53 14.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.73 42.31 5.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.445 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.413 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 12.9 mt -113.9 173.98 6.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -104.42 143.39 26.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.71 . . . . 0.0 110.896 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 160.61 49.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.63 52.68 9.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.5 m -154.95 112.74 3.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.746 0.308 . . . . 0.0 111.17 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -56.91 139.37 51.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.413 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 21.2 m-85 -129.89 128.81 42.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.6 t -91.24 115.35 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.164 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.53 151.01 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -156.97 113.07 2.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.457 HG22 HG12 ' A' ' 46' ' ' ILE . 88.0 t -98.34 154.25 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.437 ' N ' HG12 ' A' ' 83' ' ' VAL . 16.4 ptt180 -157.26 157.47 34.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.56 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . . . -103.77 152.04 22.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.538 ' O ' HG23 ' A' ' 41' ' ' ILE . 13.9 tpt180 -136.05 137.28 40.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.2 p -124.48 166.82 15.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.7 p -63.33 -35.99 82.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.514 ' HB1' ' HB3' ' A' ' 8' ' ' GLN . . . -65.03 -55.72 17.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.98 -155.11 7.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.437 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 45.8 t -131.16 151.86 51.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.32 -128.41 4.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -142.8 169.78 16.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -84.6 134.39 34.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.41 ' HB3' HD12 ' A' ' 17' ' ' ILE . 18.4 t -61.75 172.16 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -52.18 140.5 20.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.73 116.18 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.9 ttt -102.07 145.11 29.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -113.69 125.48 54.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.721 HG11 ' OE1' ' A' ' 19' ' ' GLN . 86.1 t -140.21 131.69 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -104.0 147.17 27.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.2 p -97.75 167.13 11.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.173 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -66.73 127.48 28.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -59.35 155.32 37.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.581 0.705 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 2.76 3.28 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -114.76 145.46 42.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -113.22 -173.83 18.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.453 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 100.7 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.689 2.259 . . . . 0.0 112.365 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 78.8 p -45.37 -46.08 12.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.7 m 58.59 42.08 21.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m -91.72 155.2 18.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.351 . . . . 0.0 110.872 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 t -75.24 -61.04 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.9 76.29 0.31 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 m -40.05 -61.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.845 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 p -57.65 155.73 9.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.68 -106.16 0.41 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -131.5 157.55 43.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.1 147.88 40.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.45 152.58 32.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.702 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.32 2.82 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.643 2.228 . . . . 0.0 112.366 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -94.36 177.02 6.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.438 ' CD ' ' O ' ' A' ' 94' ' ' PHE . 9.1 tt0 -108.01 130.13 55.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.499 HG23 ' HB3' ' A' ' 95' ' ' SER . 36.0 m -68.47 121.59 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.6 m -104.92 16.43 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.988 HG11 ' NE2' ' A' ' 32' ' ' GLN . 58.1 t -128.2 111.6 24.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.452 ' CD1' ' OG ' ' A' ' 95' ' ' SER . 13.1 mt -141.36 139.62 32.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 mtp-105 -137.46 174.94 10.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -119.65 106.54 12.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 8.0 mm-40 -70.07 -47.08 63.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.442 ' CG ' ' HB3' ' A' ' 28' ' ' SER . 11.2 ptt180 -154.76 162.35 41.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -153.5 103.5 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.82 -137.97 3.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.457 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -95.35 -51.51 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.9 p -116.91 15.94 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.4 p -144.98 150.84 37.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.8 t -150.7 132.92 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.442 ' HB3' ' CG ' ' A' ' 21' ' ' ARG . 13.4 t -91.83 150.61 20.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.568 HD11 ' CD1' ' A' ' 81' ' ' PHE . 84.4 mt -130.91 154.5 48.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 30' ' ' LEU . 3.0 mt -139.11 114.86 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CG ' HG11 ' A' ' 83' ' ' VAL . 42.8 p90 -127.21 164.99 20.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.988 ' NE2' HG11 ' A' ' 16' ' ' VAL . 71.0 mt-30 -110.19 174.7 5.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.34 148.0 88.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.653 0.739 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' GLU . 54.2 Cg_endo -69.71 137.66 36.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' PRO . 23.4 mt-10 -34.31 -60.22 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -131.18 102.0 16.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.729 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -25.35 28.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.359 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 56.55 42.5 27.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.06 -172.01 23.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.83 134.42 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.495 ' HA ' HG22 ' A' ' 87' ' ' THR . 70.9 mt -94.25 126.63 46.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.79 -50.56 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -167.32 161.84 14.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -99.78 132.78 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -101.34 120.05 39.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.5 mt -101.8 119.63 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -101.38 119.85 39.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.567 ' CD1' ' O ' ' A' ' 48' ' ' TYR . 22.4 p90 -133.09 127.2 33.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.525 ' CE1' ' HG3' ' A' ' 54' ' ' GLU . 20.4 p90 -141.03 165.16 28.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.18 108.8 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.54 ' HA ' HG23 ' A' ' 80' ' ' VAL . 18.1 tptp -47.57 -54.59 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.77 -41.54 78.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -103.58 102.7 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.525 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 38.5 tt0 -105.22 102.28 11.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.58 162.23 14.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -52.76 -59.71 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.8 m -63.36 120.84 12.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -124.06 151.46 43.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -96.62 130.04 43.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.0 m -118.2 146.55 44.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.1 tp -114.81 158.61 21.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -117.73 128.05 54.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.98 131.33 37.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.046 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.7 m -82.05 -24.08 9.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 67' ' ' ARG . 5.4 t -116.16 166.81 11.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.507 ' HA ' ' CE2' ' A' ' 31' ' ' TRP . 76.4 p -66.92 -2.9 5.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 65' ' ' THR . 47.8 mtt85 -115.39 127.75 55.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.52 157.46 43.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.2 m -127.43 106.97 9.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.413 HG13 ' CE2' ' A' ' 48' ' ' TYR . 87.6 t -73.06 120.47 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.0 t -122.04 159.2 27.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.52 37.91 7.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.3 mt -107.11 175.57 5.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.876 0.369 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -102.57 140.19 20.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.549 0.69 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 158.72 55.9 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.323 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.37 42.24 13.02 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.536 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 93.4 m -144.41 121.72 11.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 111.184 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 -66.96 142.76 57.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -134.87 130.86 36.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.54 HG23 ' HA ' ' A' ' 51' ' ' LYS . 40.1 t -89.7 107.01 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CD1' HD11 ' A' ' 29' ' ' LEU . 93.9 m-85 -88.3 147.49 24.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 95' ' ' SER . 15.0 mm100 -150.66 113.81 4.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.579 HG11 ' CG ' ' A' ' 31' ' ' TRP . 63.7 t -93.42 139.6 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.441 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -139.42 154.93 47.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.16 117.86 35.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -101.99 123.61 46.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.495 HG22 ' HA ' ' A' ' 41' ' ' ILE . 25.4 p -120.67 144.2 48.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 87' ' ' THR . 30.0 t -34.21 -49.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.55 -61.38 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.89 -156.07 8.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.546 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 72.9 m -117.08 157.24 26.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.833 0.349 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -111.26 177.48 19.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -73.23 162.59 29.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 84' ' ' ARG . 5.8 m-85 -84.67 144.18 28.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.499 ' HB3' HG23 ' A' ' 14' ' ' VAL . 96.6 p -58.08 174.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -55.73 135.2 51.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.03 102.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.446 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 0.9 OUTLIER -85.03 145.11 27.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 98' ' ' MET . 43.5 mt-10 -124.85 124.06 41.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 86.5 t -147.36 148.81 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -117.34 134.75 54.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.5 p -78.08 170.36 16.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.14 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.04 118.05 4.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -54.98 155.99 7.58 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.559 0.695 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -39.08 6.9 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.313 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 99.7 p -115.54 147.29 40.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 106.4 -174.03 20.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -176.51 1.53 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.4 t -109.88 127.06 54.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.5 t -74.19 -44.23 54.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.503 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.436 -0.265 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -96.15 142.87 27.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.7 m -49.33 -50.16 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.15 45.32 82.69 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.52 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 p 52.03 39.75 26.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 110.884 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -50.37 -61.2 2.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.38 -151.15 5.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -56.88 108.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -143.27 141.97 31.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 143.06 97.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 157.27 60.97 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.319 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 t -67.63 131.15 45.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.441 ' CD ' ' O ' ' A' ' 94' ' ' PHE . 8.2 tt0 -64.06 126.25 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 95' ' ' SER . 89.8 t -60.75 112.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.36 17.92 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.453 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.7 p -129.74 105.19 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 92.1 mt -142.31 135.7 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -132.57 174.81 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -119.3 109.57 15.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 5.5 mm-40 -70.37 -55.54 8.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 21' ' ' ARG . 40.1 mtm105 -148.88 144.83 27.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.05 120.81 31.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.55 -165.15 16.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.4 -62.49 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 p -117.97 17.88 14.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.411 ' C ' HG23 ' A' ' 27' ' ' VAL . 46.6 p -129.6 152.55 49.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.411 HG23 ' C ' ' A' ' 26' ' ' SER . 97.7 t -157.53 143.6 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -118.17 139.78 50.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.496 HD11 ' CD1' ' A' ' 81' ' ' PHE . 44.2 mt -125.5 133.47 52.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' A' ' 30' ' ' LEU . 6.1 mt -113.38 126.93 55.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 24.5 p90 -145.64 131.42 19.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' CG ' HG11 ' A' ' 16' ' ' VAL . 7.6 pt20 -91.37 160.42 15.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.08 139.42 34.24 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.671 0.748 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.1 Cg_endo -69.82 149.81 67.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 34' ' ' PRO . 24.2 mt-10 -37.19 -64.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -125.09 102.28 31.15 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.739 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -12.54 33.06 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.738 2.292 . . . . 0.0 112.335 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 55.1 43.81 28.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 120.71 -178.68 16.43 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.518 ' H ' HD12 ' A' ' 40' ' ' ILE . 5.4 mp -74.74 126.24 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 111.152 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.4 mt -86.92 120.29 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.11 -63.35 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -154.14 159.92 41.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -99.58 128.59 45.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 84' ' ' ARG . 0.7 OUTLIER -94.72 134.26 37.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.436 HG12 HG22 ' A' ' 83' ' ' VAL . 11.5 mt -122.94 107.98 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -99.99 123.33 44.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.553 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 18.8 p90 -131.61 141.56 49.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.542 ' CE1' ' HG3' ' A' ' 54' ' ' GLU . 11.9 p90 -153.39 156.64 38.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.498 ' HG2' HG21 ' A' ' 77' ' ' THR . 4.3 mt-10 -53.29 109.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -49.61 -52.14 32.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -71.86 -41.93 67.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -101.7 106.95 18.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.542 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 5.1 mp0 -99.66 105.22 17.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 55' ' ' MET . 3.6 mpp? -102.88 143.67 32.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -48.29 -41.25 27.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.0 p -86.08 123.53 31.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -114.66 154.1 29.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.525 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 44.0 m -96.18 124.73 40.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.467 ' CG2' ' HG3' ' A' ' 45' ' ' GLU . 22.3 m -106.87 153.22 22.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 tp -139.46 129.28 24.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.94 132.87 40.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.39 129.6 37.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.7 m -84.72 -36.05 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 t -93.07 170.04 9.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.5 p -80.92 16.23 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.478 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 54.8 mtt180 -138.74 119.24 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.18 155.08 47.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.2 m -131.88 102.91 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.661 HG21 ' HE1' ' A' ' 81' ' ' PHE . 58.3 t -71.23 118.02 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.6 m -121.24 151.51 39.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.9 39.11 4.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.1 mt -106.66 177.9 4.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -98.02 134.74 21.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.884 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 153.95 68.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.748 2.299 . . . . 0.0 112.338 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.29 46.23 51.98 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.455 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.498 HG21 ' HG2' ' A' ' 50' ' ' GLU . 85.3 m -150.58 114.46 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.708 0.289 . . . . 0.0 111.184 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.441 ' NH1' ' OE1' ' A' ' 99' ' ' GLU . 31.7 mtt180 -58.01 145.99 34.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -134.46 147.07 50.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.4 t -107.49 107.99 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.661 ' HE1' HG21 ' A' ' 70' ' ' VAL . 84.5 m-85 -92.76 153.07 19.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -154.43 112.72 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.954 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.436 HG22 HG12 ' A' ' 46' ' ' ILE . 51.1 t -100.52 146.61 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.621 ' HG2' ' CE1' ' A' ' 94' ' ' PHE . 6.0 ppt_? -153.83 154.67 34.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -105.96 139.22 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.426 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 6.1 ttt85 -117.95 115.81 25.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 88' ' ' SER . 37.8 p -109.07 136.93 47.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 87' ' ' THR . 48.6 p -34.6 -42.88 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.74 -60.81 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.098 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -156.51 -154.65 7.1 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.498 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 13.9 m -131.11 142.64 50.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.368 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -104.68 153.45 17.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -54.53 176.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.621 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 9.7 m-85 -92.67 139.97 30.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 55.6 p -51.95 168.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -52.08 145.12 10.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.44 105.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 1.9 tpt -86.39 145.17 26.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 98' ' ' MET . 31.1 mt-10 -122.55 125.49 45.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.6 t -141.44 132.95 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -106.89 133.87 50.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.9 p -82.2 174.32 11.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -86.82 129.97 9.74 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -62.34 153.83 74.21 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.565 0.697 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 106' ' ' SER . 53.7 Cg_endo -69.72 0.9 4.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 105' ' ' PRO . 61.4 m -34.66 -50.95 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.96 151.42 7.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 153.1 69.31 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.373 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.1 p 52.26 38.36 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 98.5 p -83.35 -44.27 15.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.2 m -132.65 139.61 47.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.843 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 m -118.08 163.27 16.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.82 71.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 p -42.42 -55.51 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 t -63.31 145.18 56.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.17 -154.69 8.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -136.88 138.96 41.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.96 162.29 24.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.04 148.42 67.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.572 0.701 . . . . 0.0 111.062 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 168.87 20.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.226 . . . . 0.0 112.367 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -70.6 177.65 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -109.71 117.64 34.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.14 113.34 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -110.7 17.0 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.1 t -120.64 105.16 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 68.3 mt -141.02 132.99 29.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' LEU . 11.4 mtp180 -141.27 151.85 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.52 119.2 38.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -76.15 -54.85 6.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -149.72 137.22 19.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.96 102.07 11.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.88 -171.84 43.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -69.48 -56.51 7.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.3 p -117.8 16.09 14.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.2 p -145.25 150.12 36.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.0 t -142.87 145.98 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.9 t -103.44 156.01 18.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.4 HD11 ' CD2' ' A' ' 81' ' ' PHE . 44.1 mt -135.54 153.55 51.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' ARG . 4.8 mt -137.44 120.44 16.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.658 ' CH2' HD11 ' A' ' 46' ' ' ILE . 17.3 p90 -145.3 140.93 28.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -92.44 173.77 7.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.91 148.26 98.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.75 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' GLU . 54.3 Cg_endo -69.68 142.0 47.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.277 . . . . 0.0 112.399 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' PRO . 31.5 mt-10 -36.32 -65.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -128.4 102.46 20.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -21.63 32.95 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 57.16 40.68 28.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.51 -147.78 19.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.549 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.494 ' O ' HG22 ' A' ' 87' ' ' THR . 16.6 mm -111.58 143.12 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mt -107.09 118.91 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.86 -50.15 63.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -162.7 155.08 18.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.545 ' CE1' ' HB2' ' A' ' 85' ' ' ALA . 49.1 m-85 -96.31 111.53 23.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.19 131.51 38.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.702 HG12 HG22 ' A' ' 83' ' ' VAL . 23.6 mt -117.08 124.75 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -101.36 118.25 36.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -127.91 122.27 32.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 54' ' ' GLU . 31.9 p90 -137.2 158.25 44.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.555 ' HG3' ' CE1' ' A' ' 79' ' ' TYR . 3.8 mt-10 -71.3 104.89 3.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 50' ' ' GLU . 35.7 tptt -32.97 -43.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -74.88 -43.08 56.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 50' ' ' GLU . 10.3 mmmt -92.13 17.97 8.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.568 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 55.2 tt0 -41.54 -45.95 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.443 ' CE ' ' H ' ' A' ' 55' ' ' MET . 1.4 pmm? -74.75 -24.68 58.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 53' ' ' LYS . 9.6 tp60 -56.82 -67.04 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.7 t -166.53 159.65 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -125.67 137.11 53.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.0 m -103.83 152.0 22.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.8 m -121.65 146.27 47.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.453 ' HG ' ' N ' ' A' ' 62' ' ' LYS . 6.3 tp -136.56 150.31 48.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.453 ' N ' ' HG ' ' A' ' 61' ' ' LEU . 7.8 mptt -110.1 133.24 53.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.51 133.83 46.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -92.05 -32.59 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -100.36 172.2 7.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.434 ' N ' ' OG1' ' A' ' 65' ' ' THR . 32.5 p -80.36 13.54 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -142.96 118.17 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.49 158.39 43.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.5 m -129.0 104.53 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.23 120.62 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.5 p -113.99 159.24 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.53 44.37 5.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.475 HD22 ' CE1' ' A' ' 79' ' ' TYR . 16.6 mt -113.02 173.6 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' HE3' ' CD ' ' A' ' 50' ' ' GLU . 9.2 mtmm -108.42 142.82 26.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 161.51 45.63 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.51 53.3 7.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.468 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.474 HG21 ' HG2' ' A' ' 50' ' ' GLU . 89.4 m -155.12 120.31 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.75 0.309 . . . . 0.0 111.137 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.5 mtt-85 -60.07 142.88 53.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 50' ' ' GLU . 15.6 m-85 -134.24 141.14 46.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.541 ' HB ' ' CZ ' ' A' ' 49' ' ' TYR . 17.4 t -111.13 114.65 47.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.4 ' CD2' HD11 ' A' ' 29' ' ' LEU . 49.0 m-85 -99.36 151.47 21.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -152.58 105.97 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.702 HG22 HG12 ' A' ' 46' ' ' ILE . 40.1 t -89.42 149.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -156.23 154.98 31.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.545 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . . . -99.32 142.41 30.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -126.49 136.0 52.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 40' ' ' ILE . 81.4 p -128.08 151.2 49.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.7 p -43.01 -36.83 1.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.79 -63.31 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -156.56 -161.93 11.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 28.7 p -122.35 142.22 50.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.43 162.51 28.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -65.16 148.56 51.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -67.23 170.86 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -94.8 175.81 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -53.76 139.04 34.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.36 104.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.477 ' O ' HG13 ' A' ' 80' ' ' VAL . 4.5 ttp -83.11 156.37 23.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -124.48 123.95 41.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.2 t -145.9 131.85 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -104.63 146.9 28.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.2 p -91.75 178.0 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.37 118.18 5.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -52.2 147.88 12.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -23.39 30.65 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.7 m -55.09 -62.37 1.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 127.71 -175.6 18.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 89.05 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.0 m -85.17 176.02 8.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.5 t -117.42 172.83 7.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 m -68.21 -46.53 70.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.388 . . . . 0.0 110.877 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -96.19 171.4 8.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.62 92.21 0.17 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -82.13 134.58 35.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -59.04 156.31 12.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.46 109.9 0.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -56.69 158.61 4.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.886 ' HB3' ' OD1' ' A' ' 38' ' ' ASN . . . -66.81 134.21 51.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -52.13 160.51 1.2 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.534 0.683 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 53.5 Cg_endo -69.73 -164.86 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.5 t -107.3 170.92 7.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -103.94 112.51 25.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -53.51 127.15 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.3 m -115.84 17.55 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 31' ' ' TRP . 87.1 t -128.2 109.04 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.9 mt -141.28 140.77 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 30' ' ' LEU . 55.3 mtt180 -139.4 171.46 14.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -118.82 104.92 11.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 6.7 mm-40 -68.31 -46.25 70.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' CG ' ' HB3' ' A' ' 28' ' ' SER . 11.0 ptt85 -152.14 148.78 28.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.84 118.43 19.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.27 -156.54 11.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -74.24 -66.61 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 p -111.04 17.35 20.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 p -136.86 147.01 46.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.3 t -152.61 128.14 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.437 ' HB3' ' CG ' ' A' ' 21' ' ' ARG . 37.4 t -98.36 137.35 37.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 30' ' ' LEU . 82.5 mt -121.24 160.5 23.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.55 ' CD2' ' HG3' ' A' ' 67' ' ' ARG . 4.6 mt -141.83 122.55 14.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.403 ' HB2' ' O ' ' A' ' 16' ' ' VAL . 37.9 p90 -139.65 140.03 36.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -90.94 166.65 12.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -52.72 144.94 23.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.657 0.742 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.429 ' HG3' ' CD1' ' A' ' 41' ' ' ILE . 53.8 Cg_endo -69.75 -164.72 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -132.88 116.22 16.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.55 ' N ' ' CD ' ' A' ' 37' ' ' PRO . 15.5 mt-30 67.98 48.03 0.41 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 36' ' ' GLN . 53.6 Cg_endo -69.8 5.43 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.886 ' OD1' ' HB3' ' A' ' 9' ' ' ALA . 3.2 m-80 57.85 36.1 26.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.39 -179.91 16.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 40' ' ' ILE . 5.2 mp -71.87 149.84 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.429 ' CD1' ' HG3' ' A' ' 34' ' ' PRO . 16.2 mt -106.84 120.02 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.5 mt -56.68 -61.16 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' CD ' ' HD2' ' A' ' 62' ' ' LYS . 12.9 pt-20 -147.23 174.54 11.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -119.04 143.01 47.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -105.64 140.37 38.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.9 mt -123.02 117.28 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -108.87 121.48 45.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.447 ' CD2' HD21 ' A' ' 73' ' ' LEU . 2.2 p90 -127.46 130.07 48.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 4.0 p90 -137.74 165.72 25.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.15 112.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.442 ' HA ' HG23 ' A' ' 80' ' ' VAL . 19.6 tptp -49.82 -52.95 28.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -70.04 -42.43 72.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -102.55 105.7 16.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -95.57 153.28 17.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 12.7 mmt 63.24 32.0 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -98.0 -68.55 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.4 p -157.05 103.81 2.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.499 ' HE1' HG23 ' A' ' 60' ' ' THR . 2.0 p90 -102.29 143.99 31.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 48' ' ' TYR . 58.6 m -125.78 138.8 53.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.85 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.499 HG23 ' HE1' ' A' ' 58' ' ' TYR . 17.9 p -104.21 127.16 51.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.167 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.0 tp -111.54 126.85 55.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.417 ' HD2' ' CD ' ' A' ' 43' ' ' GLU . 25.1 mmtp -94.29 124.86 38.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -131.13 128.2 39.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.4 m -77.82 -35.66 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.437 ' C ' ' H ' ' A' ' 67' ' ' ARG . 5.1 t -99.07 157.4 16.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.2 p -61.25 -2.14 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.55 ' HG3' ' CD2' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -111.0 128.13 55.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.02 151.33 33.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 93.0 m -129.22 120.76 26.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.429 HG13 ' CZ ' ' A' ' 48' ' ' TYR . 97.7 t -82.94 113.68 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.6 p -112.56 161.73 16.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.19 39.83 8.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.443 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.447 HD21 ' CD2' ' A' ' 48' ' ' TYR . 23.8 mt -107.96 169.15 8.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.362 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -92.33 135.04 27.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 145.23 56.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.338 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.37 49.97 68.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.0 m -151.64 112.66 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 111.148 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -54.28 137.19 41.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -129.09 151.84 49.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.442 HG23 ' HA ' ' A' ' 51' ' ' LYS . 61.8 t -113.15 105.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.404 ' CE1' HG21 ' A' ' 70' ' ' VAL . 97.8 m-85 -88.01 148.3 24.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -148.4 106.22 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.4 t -93.23 144.59 9.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.407 ' NH1' ' O ' ' A' ' 85' ' ' ALA . 15.3 ptt85 -151.8 156.95 41.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.407 ' O ' ' NH1' ' A' ' 84' ' ' ARG . . . -98.44 148.04 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -129.73 113.37 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 38.2 p -103.54 163.68 12.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.8 p -51.87 -44.72 63.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.3 -59.73 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.32 -134.96 1.78 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 74.1 m -135.11 148.04 49.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.34 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.8 -146.76 21.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -107.94 157.67 18.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.94 142.52 40.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.0 p -60.93 175.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -59.06 138.16 57.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.87 113.45 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.1 ttt -101.37 146.11 28.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -116.01 124.67 51.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 94.5 t -139.13 140.13 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -110.6 131.41 55.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.2 p -79.07 177.78 8.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.99 123.09 6.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.529 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -61.59 152.72 73.58 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.827 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 158.35 57.2 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.371 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.2 m 57.23 43.34 23.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -113.57 -160.45 13.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 90.67 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.735 2.29 . . . . 0.0 112.329 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.6 t -96.98 -46.33 6.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 74.0 m -126.4 143.33 51.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -71.17 119.42 15.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -51.56 -46.49 63.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.02 73.14 0.89 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -99.58 159.17 15.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.389 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 t -104.6 123.5 47.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.69 -146.82 18.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -103.46 168.96 8.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.344 . . . . 0.0 110.924 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.37 160.83 22.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -76.03 155.78 84.41 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.552 0.692 . . . . 0.0 111.072 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.517 ' HG3' HG23 ' A' ' 87' ' ' THR . 54.0 Cg_endo -69.77 161.13 47.11 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.694 2.262 . . . . 0.0 112.378 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -69.67 174.45 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' OE1' ' HB3' ' A' ' 93' ' ' ARG . 10.2 tt0 -105.31 116.11 31.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 95' ' ' SER . 87.5 t -52.79 120.33 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.5 m -117.89 17.81 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.614 HG11 ' CG ' ' A' ' 32' ' ' GLN . 3.0 p -128.22 113.68 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.574 HG21 ' SD ' ' A' ' 98' ' ' MET . 65.5 mt -142.21 147.65 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -143.8 163.32 33.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -111.85 114.57 27.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 6.3 mm-40 -78.96 -62.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -153.65 118.93 5.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' HA ' HG23 ' A' ' 27' ' ' VAL . . . -96.81 102.04 13.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 26' ' ' SER . . . -71.54 177.07 37.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.443 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -60.23 -54.88 40.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.891 0.377 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.7 p -111.83 14.83 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' GLY . 39.2 p -153.41 174.21 14.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.676 HG13 ' HB ' ' A' ' 70' ' ' VAL . 2.5 p -163.96 157.85 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.5 ' N ' HG22 ' A' ' 27' ' ' VAL . 37.4 t -120.38 136.62 54.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.9 mt -115.56 165.66 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 67' ' ' ARG . 5.8 mt -142.32 122.99 14.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -145.72 133.53 21.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.614 ' CG ' HG11 ' A' ' 16' ' ' VAL . 2.7 pt20 -91.69 160.73 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -52.04 148.75 10.43 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 157.87 58.97 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.718 2.278 . . . . 0.0 112.33 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -46.11 -51.2 14.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -140.49 102.02 6.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -19.4 36.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.746 2.297 . . . . 0.0 112.348 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 52.08 42.54 30.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.22 -163.07 25.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.441 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp -98.21 130.67 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 111.093 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.519 ' HA ' HG22 ' A' ' 87' ' ' THR . 19.1 mt -92.01 121.41 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.75 -52.77 58.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -167.2 158.27 11.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.441 ' OH ' HD13 ' A' ' 41' ' ' ILE . 37.0 m-85 -98.43 117.4 32.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -84.35 132.59 34.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.2 mt -120.54 111.15 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.504 ' HE3' ' CG ' ' A' ' 58' ' ' TYR . 55.0 tttt -99.83 119.09 37.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.575 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 30.9 p90 -128.9 124.86 36.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 49' ' ' TYR . 6.5 p90 -132.48 156.68 46.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.558 ' HG3' ' CE1' ' A' ' 79' ' ' TYR . 4.5 mt-10 -53.59 105.48 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HD3' HG22 ' A' ' 80' ' ' VAL . 22.1 tptp -46.64 -50.36 17.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.62 -42.21 64.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -103.14 107.14 17.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -86.36 102.11 13.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.7 mtm -88.0 138.84 31.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -50.36 -51.8 42.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 t -97.26 113.13 24.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.504 ' CG ' ' HE3' ' A' ' 47' ' ' LYS . 11.9 p90 -89.02 154.02 20.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.7 m -96.14 129.51 43.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.3 p -108.98 158.45 17.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.5 tp -130.85 126.85 37.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.43 120.48 32.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.53 128.39 46.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.5 m -82.74 -32.55 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.541 HG23 ' H ' ' A' ' 67' ' ' ARG . 9.7 t -98.44 169.78 9.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.9 p -76.94 5.54 7.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.541 ' H ' HG23 ' A' ' 65' ' ' THR . 61.0 mtt85 -131.97 119.46 21.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.95 154.26 49.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.2 m -116.62 105.89 12.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.836 HG21 ' CE1' ' A' ' 81' ' ' PHE . 53.6 t -67.7 114.45 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 t -119.5 153.02 35.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.71 55.02 2.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.69 HD11 HG12 ' A' ' 70' ' ' VAL . 7.7 mt -126.47 176.71 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 110.913 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -103.99 140.85 21.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.607 0.718 . . . . 0.0 110.834 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 137.3 35.28 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.396 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.401 ' CA ' ' HG2' ' A' ' 104' ' ' LYS . . . 61.88 50.19 68.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.499 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.8 m -148.96 113.27 5.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.35 . . . . 0.0 111.109 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -55.97 145.36 25.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CE1' ' HG3' ' A' ' 50' ' ' GLU . 24.9 m-85 -140.1 131.45 26.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.426 HG22 ' HD3' ' A' ' 51' ' ' LYS . 60.7 t -89.64 112.67 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.836 ' CE1' HG21 ' A' ' 70' ' ' VAL . 71.6 m-85 -96.72 145.09 26.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 96' ' ' GLN . 12.7 mm100 -147.43 111.98 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.95 151.18 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.452 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -145.95 171.97 14.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.05 120.33 23.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.7 ttp85 -117.22 131.93 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.519 HG22 ' HA ' ' A' ' 41' ' ' ILE . 60.9 p -121.07 163.24 18.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.3 p -54.19 -41.25 68.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.92 -60.18 3.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.53 -165.81 13.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.401 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 2.0 t -122.82 160.37 26.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -107.13 -157.02 20.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.478 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.401 ' HB3' ' OE1' ' A' ' 13' ' ' GLN . 26.4 mtp180 -113.18 177.67 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 84' ' ' ARG . 4.3 m-85 -92.9 134.3 35.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 10.4 t -59.35 174.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.406 ' O ' ' OE1' ' A' ' 82' ' ' GLN . 24.4 mt-30 -54.93 139.23 41.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.03 102.93 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.574 ' SD ' HG21 ' A' ' 17' ' ' ILE . 12.6 ttt -86.91 142.02 28.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.414 ' OE2' ' CE ' ' A' ' 51' ' ' LYS . 85.6 mt-10 -120.35 123.42 43.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 75.9 t -141.23 131.98 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -104.73 118.73 37.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.5 p -52.06 179.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.91 110.87 3.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.401 ' HG2' ' CA ' ' A' ' 76' ' ' GLY . 28.3 mtmt -61.1 150.23 79.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 2.47 3.51 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.4 m -48.27 -48.35 35.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 148.93 179.68 25.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 179.05 3.93 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.272 . . . . 0.0 112.375 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.7 t -147.73 147.46 29.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.0 m -121.68 117.41 26.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 m -81.61 15.19 2.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 m -72.9 -54.71 8.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.895 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.15 83.68 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t -86.37 149.17 25.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -149.06 114.85 5.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.78 -118.85 0.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -99.46 164.74 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 110.915 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.8 146.07 53.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.01 152.19 51.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 157.93 58.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.253 . . . . 0.0 112.295 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t -66.49 135.54 54.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.437 ' CD ' ' O ' ' A' ' 94' ' ' PHE . 12.4 tt0 -67.08 113.96 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.3 t -53.72 121.35 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 m -116.06 17.92 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.506 HG11 ' HG2' ' A' ' 32' ' ' GLN . 2.8 p -128.47 111.82 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.3 mt -142.11 137.6 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -132.61 153.61 50.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -101.39 108.94 20.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 3.5 mm-40 -67.17 -61.75 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 23.1 mtm180 -156.85 138.44 14.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.78 106.08 16.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.84 176.0 22.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -56.6 132.72 52.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 72' ' ' GLY . 12.2 p 39.73 31.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.435 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -155.16 158.22 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.805 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.436 HG11 ' CE2' ' A' ' 81' ' ' PHE . 72.7 t -157.66 131.37 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 t -100.72 132.3 46.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.1 mt -115.93 156.53 26.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.415 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 7.2 tp -141.35 111.01 6.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.465 ' CH2' HD11 ' A' ' 46' ' ' ILE . 40.0 p90 -132.05 135.74 46.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.506 ' HG2' HG11 ' A' ' 16' ' ' VAL . 7.4 pt20 -91.25 160.14 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -52.51 143.94 25.86 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.7 0.762 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -178.2 2.22 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -73.6 -66.67 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 27.2 mp0 -111.8 102.02 52.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.619 0.723 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.6 Cg_endo -69.75 -23.77 30.46 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 52.59 46.09 27.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.53 -169.99 16.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mp -86.95 127.22 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.5 mt -89.44 102.38 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.1 mt -53.6 -57.77 9.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -156.84 173.2 17.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -108.1 156.44 19.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.499 ' HG2' ' CG2' ' A' ' 60' ' ' THR . 4.0 tt0 -120.31 129.52 54.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.59 HG12 HG22 ' A' ' 83' ' ' VAL . 17.2 mt -117.45 120.17 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.474 ' HZ3' ' HE2' ' A' ' 49' ' ' TYR . 27.0 tttm -104.43 123.3 47.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.451 ' CE1' ' HB2' ' A' ' 59' ' ' SER . 45.5 p90 -131.52 135.94 47.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.474 ' HE2' ' HZ3' ' A' ' 47' ' ' LYS . 6.9 p90 -153.36 155.58 36.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 4.3 mt-10 -52.63 109.93 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -50.96 -51.74 49.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.968 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -72.34 -41.64 66.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 50' ' ' GLU . 43.4 mmtt -103.24 109.5 21.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -93.41 102.08 14.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 17.5 mtm -90.71 145.43 24.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -58.97 -42.95 91.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.9 p -94.65 103.66 15.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -92.82 154.09 18.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.451 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 33.1 m -96.02 136.28 36.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.499 ' CG2' ' HG2' ' A' ' 45' ' ' GLU . 4.5 m -117.31 147.51 42.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.545 HD22 HG22 ' A' ' 70' ' ' VAL . 21.1 tp -129.01 126.64 39.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -90.6 146.02 24.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.99 131.42 19.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.0 m -83.45 -37.04 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.595 HG23 ' H ' ' A' ' 67' ' ' ARG . 9.1 t -95.73 172.18 8.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.2 p -80.0 13.89 2.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.595 ' H ' HG23 ' A' ' 65' ' ' THR . 22.5 mtp180 -135.91 130.33 33.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.47 160.95 43.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.1 m -136.51 102.3 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.545 HG22 HD22 ' A' ' 61' ' ' LEU . 88.8 t -68.71 102.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.1 m -102.21 161.65 13.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' THR . . . 84.91 47.91 5.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' THR . 15.6 mt -117.96 176.24 5.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -83.74 129.95 57.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 110.917 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 145.33 56.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.24 . . . . 0.0 112.34 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.56 44.42 85.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 96.7 m -145.25 120.95 10.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.8 0.333 . . . . 0.0 111.133 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.9 mtt85 -58.07 140.48 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -131.73 141.42 49.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -102.36 109.04 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.436 ' CE2' HG11 ' A' ' 27' ' ' VAL . 93.5 m-85 -92.64 156.83 16.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -157.78 104.4 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.59 HG22 HG12 ' A' ' 46' ' ' ILE . 87.3 t -90.08 152.16 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.579 ' CZ ' ' CZ ' ' A' ' 94' ' ' PHE . 10.5 ptt180 -159.05 155.4 27.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.81 139.07 37.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -125.78 116.85 22.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 88' ' ' SER . 77.4 p -104.84 147.65 27.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 87' ' ' THR . 13.5 m -36.52 -42.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.22 -60.57 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -163.92 -137.02 2.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.8 t -143.47 128.62 18.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.35 -143.5 2.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -109.83 169.27 8.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.579 ' CZ ' ' CZ ' ' A' ' 84' ' ' ARG . 9.3 m-85 -85.54 163.69 18.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.7 t -81.54 171.81 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -54.08 143.04 23.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.06 102.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 0.3 OUTLIER -85.54 146.21 27.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.479 ' N ' ' HG3' ' A' ' 98' ' ' MET . 37.8 mt-10 -123.17 123.46 40.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 71.1 t -151.15 139.7 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -104.6 148.1 26.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 81.8 p -83.68 177.6 8.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.86 116.62 4.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.512 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -58.92 154.42 38.21 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 5.95 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.735 2.29 . . . . 0.0 112.31 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 m -72.41 158.05 36.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.1 177.82 1.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 2.79 3.19 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.717 2.278 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 82.7 p -100.51 17.94 20.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.8 t -93.46 -55.23 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -89.21 -46.96 8.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.389 . . . . 0.0 110.897 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -90.23 -44.84 9.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.19 138.18 7.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 m -96.18 138.99 32.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.369 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -98.84 135.19 40.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.03 -90.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.479 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -120.07 153.08 36.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.79 0.329 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.25 135.18 51.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.625 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -64.58 162.11 37.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.625 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 54.0 Cg_endo -69.77 169.15 19.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.8 t -80.47 165.35 22.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -90.79 112.61 24.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.1 t -54.13 123.59 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 m -117.59 17.68 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.675 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.6 p -127.83 106.32 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.409 HD11 ' OG ' ' A' ' 95' ' ' SER . 40.6 mt -142.32 134.23 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -138.46 170.97 15.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.468 ' CD ' ' HB2' ' A' ' 22' ' ' ALA . 3.4 tt0 -120.31 110.73 16.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.828 ' OE2' HD11 ' A' ' 30' ' ' LEU . 34.5 mt-10 -70.81 -53.47 15.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.7 mtt85 -148.06 130.94 16.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.468 ' HB2' ' CD ' ' A' ' 19' ' ' GLN . . . -115.47 102.92 10.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.84 -161.21 31.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -83.69 -47.26 11.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.7 p -117.12 17.57 14.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.0 p -151.1 159.23 44.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.5 t -156.31 136.19 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.7 t -103.18 145.8 29.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 81' ' ' PHE . 96.9 mt -130.7 141.64 50.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.828 HD11 ' OE2' ' A' ' 20' ' ' GLU . 6.1 mt -122.43 123.74 42.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -145.43 135.16 23.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.675 ' CG ' HG11 ' A' ' 16' ' ' VAL . 5.6 pt20 -92.78 162.68 14.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -56.15 145.21 56.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.626 0.727 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 153.21 69.06 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.258 . . . . 0.0 112.298 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -41.56 -62.53 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.414 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 21.3 mt-30 -127.81 102.0 22.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 54.0 Cg_endo -69.8 -18.84 36.58 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 53.31 46.14 27.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.15 165.09 11.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -69.49 114.23 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.525 ' HA ' HG22 ' A' ' 87' ' ' THR . 86.3 mt -72.84 121.98 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 88' ' ' SER . 27.6 mt -66.21 -57.64 7.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -165.2 163.42 20.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.654 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 64.5 m-85 -103.15 134.45 46.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -107.96 129.3 55.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.595 HD12 HD23 ' A' ' 61' ' ' LEU . 10.4 mt -109.7 123.98 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.58 ' HD3' ' CZ ' ' A' ' 94' ' ' PHE . 41.0 tttt -109.06 117.47 34.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 59' ' ' SER . 25.4 p90 -126.31 119.64 27.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -128.16 164.83 21.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 53' ' ' LYS . 6.1 mt-10 -60.98 103.67 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.529 ' HA ' HG23 ' A' ' 80' ' ' VAL . 20.3 tptm -35.27 -50.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.61 -40.08 70.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.466 ' HA ' ' HE1' ' A' ' 55' ' ' MET . 58.2 mmtt -106.94 106.01 16.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -95.58 -64.77 1.03 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.466 ' HE1' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -43.99 -23.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -65.62 161.82 19.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.6 t -52.01 139.06 23.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -120.16 144.04 47.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.564 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 17.6 m -96.61 141.31 30.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.3 m -115.63 149.63 38.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.595 HD23 HD12 ' A' ' 46' ' ' ILE . 15.7 tp -130.59 145.43 51.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -114.51 125.75 54.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.85 128.63 41.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.8 m -84.89 -32.4 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -96.29 172.5 7.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.448 ' N ' ' OG1' ' A' ' 65' ' ' THR . 22.3 p -77.1 8.07 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.174 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -129.31 127.03 40.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -142.67 158.94 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.8 m -136.71 101.98 4.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.44 HG22 HD22 ' A' ' 61' ' ' LEU . 71.6 t -68.64 115.79 7.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.2 p -114.18 162.04 17.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.3 40.8 8.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.475 HD21 ' CD2' ' A' ' 48' ' ' TYR . 47.5 mt -104.42 169.04 8.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -96.29 135.95 22.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 110.908 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 160.35 50.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.254 . . . . 0.0 112.374 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.62 41.47 9.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.8 m -144.59 119.12 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 111.156 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.412 ' HB3' ' CB ' ' A' ' 51' ' ' LYS . 30.9 mtt180 -63.6 140.96 58.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -132.38 141.32 48.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.529 HG23 ' HA ' ' A' ' 51' ' ' LYS . 40.5 t -105.15 107.32 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.447 ' CD1' HD11 ' A' ' 29' ' ' LEU . 96.8 m-85 -85.55 152.14 23.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.578 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 85.8 mt-30 -156.83 105.77 2.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.593 HG22 HG12 ' A' ' 46' ' ' ILE . 41.8 t -89.57 144.18 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.576 ' HD3' ' CE1' ' A' ' 94' ' ' PHE . 7.8 ptt85 -142.78 139.94 31.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.654 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -99.66 125.77 45.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -112.77 146.81 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.525 HG22 ' HA ' ' A' ' 41' ' ' ILE . 36.5 p -128.25 163.83 23.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.449 ' HA ' HD11 ' A' ' 42' ' ' LEU . 47.8 t -48.83 -43.01 38.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.89 -61.2 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -161.99 -166.14 20.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 29.3 p -126.25 148.35 49.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.05 -179.6 26.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.541 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -68.73 165.37 19.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CZ ' ' HD3' ' A' ' 47' ' ' LYS . 11.6 m-85 -58.32 172.5 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.409 ' OG ' HD11 ' A' ' 17' ' ' ILE . 77.8 p -81.36 -70.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -161.29 164.54 30.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.27 102.13 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.8 ttt -106.29 130.33 54.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -102.16 124.49 47.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 99.5 t -136.3 134.22 49.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -107.21 122.02 45.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.3 p -72.83 160.56 31.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.175 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.76 132.91 52.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -63.19 150.02 89.85 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.543 0.687 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 148.7 66.04 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.715 2.276 . . . . 0.0 112.337 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.5 m -128.01 170.24 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -98.81 154.89 20.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 1.14 4.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.6 p -57.34 130.14 44.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.2 m -75.79 159.7 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t 64.31 42.3 5.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 t -99.71 120.22 39.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.82 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.83 107.14 3.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -133.27 149.05 51.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.903 0.383 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -102.22 169.8 8.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.6 -153.26 19.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.445 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 13.6 mm100 -90.5 151.59 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 110.914 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.97 161.07 29.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.676 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -83.8 163.34 49.38 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 111.094 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.676 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 53.6 Cg_endo -69.77 171.89 13.64 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.643 2.229 . . . . 0.0 112.324 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 t -93.75 127.79 39.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -57.13 125.54 23.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.446 ' O ' ' CB ' ' A' ' 95' ' ' SER . 83.9 t -66.69 123.88 20.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.2 m -116.67 18.0 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.472 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.5 p -126.27 104.55 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.427 ' C ' ' HG3' ' A' ' 18' ' ' ARG . 83.2 mt -142.89 141.84 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.427 ' HG3' ' C ' ' A' ' 17' ' ' ILE . 6.5 mtp85 -141.27 171.72 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.737 ' HG3' ' HB2' ' A' ' 22' ' ' ALA . 4.3 tt0 -105.37 130.01 53.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 1.6 mm-40 -97.99 -70.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 74.0 mtt180 -97.62 -66.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.737 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . . . 67.98 42.32 1.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' ALA . . . -53.98 -167.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 103' ' ' GLY . 1.6 tt0 -74.87 -60.29 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.6 p -101.12 13.37 35.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.4 p -147.22 153.88 40.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.459 ' CG2' HG22 ' A' ' 102' ' ' THR . 98.9 t -151.65 139.45 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.0 t -115.08 137.27 52.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 81' ' ' PHE . 93.4 mt -116.86 143.04 46.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.524 ' CD2' ' HG3' ' A' ' 67' ' ' ARG . 3.6 mt -120.22 120.88 37.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -140.42 134.13 30.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.472 ' CG ' HG11 ' A' ' 16' ' ' VAL . 6.8 pt20 -91.35 167.42 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -52.12 137.33 37.91 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.647 0.737 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.8 Cg_endo -69.79 155.63 65.33 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' PRO . 22.8 mt-10 -35.79 -67.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 17.9 mt-30 -137.66 101.97 8.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.6 Cg_endo -69.73 -5.15 15.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.338 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 52.1 40.78 29.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.39 -144.42 16.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.3 mm -111.08 138.41 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 111.118 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.583 HD13 ' HB1' ' A' ' 85' ' ' ALA . 46.1 mt -102.61 107.71 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.0 mt -51.12 -59.54 4.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -149.43 158.56 44.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -100.14 113.95 26.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.484 ' HG2' ' CG2' ' A' ' 60' ' ' THR . 9.6 tt0 -83.53 129.69 34.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.811 HG12 HG22 ' A' ' 83' ' ' VAL . 22.9 mt -114.41 127.4 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -109.94 119.36 39.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.477 ' CE2' HD21 ' A' ' 73' ' ' LEU . 48.2 p90 -131.81 135.0 46.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -151.74 162.88 40.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.17 109.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.527 ' HA ' HG23 ' A' ' 80' ' ' VAL . 20.1 tptm -48.01 -54.98 11.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -68.67 -42.66 77.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -101.78 103.99 14.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.37 103.19 12.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 19.3 mmt -112.39 177.17 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -64.16 -53.35 50.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.9 m -66.85 115.8 7.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -124.57 154.2 41.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.472 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 70.0 m -96.04 129.11 43.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.484 ' CG2' ' HG2' ' A' ' 45' ' ' GLU . 14.9 m -117.16 140.16 49.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.517 HD22 ' HA ' ' A' ' 70' ' ' VAL . 53.2 tp -125.49 128.31 47.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -96.72 141.34 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 68' ' ' ALA . . . -142.56 128.09 19.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.112 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.0 m -78.56 -30.11 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 67' ' ' ARG . 8.8 t -100.85 153.72 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.7 p -58.86 -5.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.605 ' O ' HG23 ' A' ' 65' ' ' THR . 2.2 mpt_? -114.87 121.72 44.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.45 ' HB2' ' CB ' ' A' ' 63' ' ' ALA . . . -135.29 163.93 28.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.0 m -141.59 110.59 6.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.517 ' HA ' HD22 ' A' ' 61' ' ' LEU . 49.5 t -80.0 107.48 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.7 m -107.28 161.64 14.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.95 39.9 7.3 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.477 HD21 ' CE2' ' A' ' 48' ' ' TYR . 13.8 mt -112.98 173.65 6.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -96.77 138.88 21.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.55 0.69 . . . . 0.0 110.948 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 160.58 49.18 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.08 47.29 10.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 98.8 m -146.14 117.1 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 0.0 111.192 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -61.38 139.53 58.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -133.01 145.82 51.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' A' ' 51' ' ' LYS . 41.8 t -104.9 104.52 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.486 ' HB3' HD11 ' A' ' 29' ' ' LEU . 97.9 m-85 -89.33 146.13 24.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -148.51 102.46 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.811 HG22 HG12 ' A' ' 46' ' ' ILE . 49.8 t -89.82 140.79 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.3 ptt85 -141.47 161.59 37.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.806 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.583 ' HB1' HD13 ' A' ' 41' ' ' ILE . . . -108.69 132.92 53.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' N ' HG23 ' A' ' 41' ' ' ILE . 17.1 tpt180 -108.91 135.65 49.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.5 p -128.32 147.55 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.6 p -49.49 -37.56 26.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' ' 8' ' ' GLN . . . -62.8 -48.97 76.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.105 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.47 -142.17 3.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 28.0 p -140.21 157.57 45.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -102.41 -116.81 4.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -142.72 150.26 39.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -65.15 141.97 58.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 88.1 p -57.18 169.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.85 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -54.77 148.98 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.3 105.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.4 ttt -100.02 131.26 46.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -106.45 124.07 49.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.76 131.66 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -106.07 118.1 35.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.459 HG22 ' CG2' ' A' ' 27' ' ' VAL . 45.0 p -67.66 155.61 38.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 24' ' ' GLN . . . -49.0 125.2 14.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -65.45 150.22 96.17 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.526 0.679 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 1.9 4.03 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.7 p -99.17 168.07 10.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -140.79 159.92 26.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 119.05 6.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.258 . . . . 0.0 112.367 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 68.7 p -157.44 151.08 24.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.8 m -42.38 -44.9 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -113.58 118.16 33.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -63.43 -58.84 5.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.38 165.2 11.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 m -134.5 156.29 48.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 m -120.89 159.99 24.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.07 -159.81 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -65.25 173.99 2.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.24 153.55 27.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.71 152.0 87.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 178.69 4.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.411 ' HB3' ' HB2' ' A' ' 34' ' ' PRO . 8.0 t -94.75 179.56 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.489 ' CG ' ' HA ' ' A' ' 95' ' ' SER . 30.3 tt0 -108.49 130.47 55.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 14' ' ' VAL . 28.6 m -82.99 109.88 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 m -92.38 17.99 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.926 HG11 ' CG ' ' A' ' 32' ' ' GLN . 2.3 p -119.03 106.72 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.085 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.7 mt -142.9 132.7 21.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -130.43 161.27 31.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -107.57 104.26 13.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.49 -54.47 39.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 12.1 mtp-105 -155.05 132.74 11.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.43 103.03 14.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.12 173.55 54.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.63 -46.63 65.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.3 p -117.95 14.61 14.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.08 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.9 m -153.33 152.04 30.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.4 t -135.1 138.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.7 t -105.37 138.19 41.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 81' ' ' PHE . 67.0 mt -115.42 174.72 5.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.3 tp -157.85 109.47 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.507 ' CG ' HG11 ' A' ' 83' ' ' VAL . 31.8 p90 -129.38 167.75 17.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.946 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.926 ' CG ' HG11 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -132.2 160.06 37.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -52.03 144.23 21.4 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.639 0.733 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.411 ' HB2' ' HB3' ' A' ' 12' ' ' SER . 53.1 Cg_endo -69.76 174.06 10.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.22 -39.83 86.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.431 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 59.6 mt-30 -141.62 102.0 5.98 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 53.8 Cg_endo -69.73 -18.58 37.08 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 54.71 42.76 30.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.59 -161.08 24.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 40' ' ' ILE . 5.0 mp -97.02 126.39 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.407 ' HA ' HG22 ' A' ' 87' ' ' THR . 75.1 mt -96.77 119.63 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.11 -65.85 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.476 ' C ' ' CD ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -143.69 175.15 10.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.676 ' CE1' ' HB2' ' A' ' 85' ' ' ALA . 52.7 m-85 -119.31 120.82 38.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' OE2' ' N ' ' A' ' 61' ' ' LEU . 6.1 tp10 -86.97 143.38 27.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.45 HD12 HD23 ' A' ' 61' ' ' LEU . 15.2 mt -121.24 120.57 62.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . 80.0 tttt -99.86 117.45 34.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.567 ' CD2' HD21 ' A' ' 73' ' ' LEU . 54.8 p90 -132.84 122.95 25.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CD1' ' HA ' ' A' ' 54' ' ' GLU . 25.5 p90 -140.1 165.16 28.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.2 mt-10 -66.63 112.84 4.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -54.25 -49.62 69.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.31 -47.69 81.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.521 ' C ' ' HE2' ' A' ' 55' ' ' MET . 73.1 mmtt -72.07 -68.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 7.8 tt0 67.99 48.01 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.521 ' HE2' ' C ' ' A' ' 53' ' ' LYS . 29.2 mmt -71.0 140.95 50.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -41.44 -55.09 2.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.6 p -62.0 108.92 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -103.1 154.51 19.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.4 m -95.82 132.17 41.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.4 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 3.0 p -114.39 129.25 56.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.502 ' N ' ' OE2' ' A' ' 45' ' ' GLU . 11.0 tp -116.86 130.05 56.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -92.01 136.75 32.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.33 128.32 18.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.7 m -83.59 -33.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.42 167.2 11.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.6 p -81.98 16.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -140.43 125.81 18.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.95 165.77 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.5 m -132.65 107.14 8.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.6 t -70.05 106.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.6 m -111.11 143.52 41.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.66 46.56 0.96 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.567 HD21 ' CD2' ' A' ' 48' ' ' TYR . 8.6 mt -121.06 177.61 5.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -99.56 142.59 24.89 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.589 0.709 . . . . 0.0 110.882 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 162.53 41.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.374 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 39.42 47.95 2.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.0 m -145.37 116.49 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 111.146 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.6 mtt85 -57.28 145.69 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.51 ' CE1' HD22 ' A' ' 73' ' ' LEU . 9.8 m-85 -135.06 161.48 35.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.2 t -124.37 112.11 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.505 ' CD1' HD11 ' A' ' 29' ' ' LEU . 96.9 m-85 -101.26 153.41 19.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.557 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 26.3 mt-30 -156.4 118.12 3.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.507 HG11 ' CG ' ' A' ' 31' ' ' TRP . 96.4 t -99.09 135.73 33.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -142.7 152.44 42.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.676 ' HB2' ' CE1' ' A' ' 44' ' ' TYR . . . -98.34 121.53 40.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -101.92 116.95 33.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 88' ' ' SER . 82.7 p -113.57 143.6 44.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 87' ' ' THR . 77.6 p -35.12 -38.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.45 -54.1 49.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.14 177.36 47.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.0 m -81.53 159.97 24.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -111.91 166.23 12.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -68.74 144.17 54.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 82' ' ' GLN . 6.8 m-85 -62.24 131.28 48.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 25.9 p -37.91 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.511 ' CG ' ' O ' ' A' ' 95' ' ' SER . 18.8 mt-30 -168.52 159.27 10.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.19 102.01 8.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.6 ttt -107.31 126.19 52.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -99.07 123.87 43.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 71.8 t -136.38 131.77 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -103.54 125.15 49.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.7 p -71.89 159.28 34.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -53.44 126.51 34.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -67.39 150.03 98.08 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.564 0.697 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 175.0 8.69 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.3 t -160.71 153.68 21.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 172.0 -160.73 32.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 94.0 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.644 2.23 . . . . 0.0 112.387 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.5 p -114.36 176.34 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 93.1 p -139.25 154.2 47.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.456 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -59.55 167.84 1.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.381 . . . . 0.0 110.845 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -107.13 158.94 16.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.84 -126.09 1.0 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t 62.34 41.54 10.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -93.76 152.33 19.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.05 176.24 24.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.698 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 15.5 mp0 -82.83 160.16 22.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.06 144.02 31.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.44 145.93 18.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.552 0.692 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.502 ' HA ' ' OD1' ' A' ' 38' ' ' ASN . 54.2 Cg_endo -69.79 137.62 35.79 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m -59.5 159.78 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -82.86 148.08 27.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.51 ' O ' ' CB ' ' A' ' 95' ' ' SER . 52.9 t -94.02 123.18 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.0 m -112.62 13.44 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.576 HG11 ' HG2' ' A' ' 32' ' ' GLN . 85.5 t -118.88 105.46 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -142.3 132.08 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -130.45 152.79 49.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -96.36 111.46 23.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 13.5 mm-40 -76.75 -59.69 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 53.0 mtp85 -156.9 120.56 4.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . . . -101.66 102.08 12.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 26' ' ' SER . . . -71.83 -177.72 28.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -64.2 -52.76 57.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.9 p -114.51 15.92 17.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' GLY . 31.3 p -153.74 171.95 18.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.696 HG13 ' HB ' ' A' ' 70' ' ' VAL . 2.7 p -163.19 152.97 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 27' ' ' VAL . 11.1 t -117.25 143.24 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.429 HD22 ' HE1' ' A' ' 98' ' ' MET . 63.9 mt -120.39 171.61 8.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.444 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 7.8 tp -154.13 107.31 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.43 ' CE2' HG11 ' A' ' 83' ' ' VAL . 43.3 p90 -123.45 149.66 44.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.964 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.576 ' HG2' HG11 ' A' ' 16' ' ' VAL . 5.9 pt20 -98.33 157.98 15.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -52.47 146.91 15.55 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.643 0.735 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' GLN . 53.5 Cg_endo -69.82 139.79 40.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' PRO . 42.0 mt-10 -34.5 -34.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.504 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 8.5 mt-30 -151.11 102.04 2.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.504 ' OD1' ' O ' ' A' ' 36' ' ' GLN . 0.5 OUTLIER 53.06 38.9 28.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.31 -165.08 14.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.9 mp -81.71 129.01 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 111.15 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.0 mt -96.2 125.8 48.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt -68.01 -53.33 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -166.43 166.31 16.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -106.15 140.08 39.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.56 135.08 45.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.3 mt -118.97 107.5 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.433 ' HZ3' ' HE2' ' A' ' 49' ' ' TYR . 18.3 tttm -103.16 124.19 48.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.585 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 3.9 p90 -133.55 132.87 41.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.433 ' HE2' ' HZ3' ' A' ' 47' ' ' LYS . 8.8 p90 -132.81 170.79 14.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' LYS . 3.5 mt-10 -64.55 102.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.449 ' HA ' HG23 ' A' ' 80' ' ' VAL . 22.4 tptp -36.62 -47.34 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -71.66 -43.75 65.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -100.01 106.42 18.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -92.54 144.21 25.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.442 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 6.3 mmt 53.64 32.2 14.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -116.05 -37.68 3.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.0 m -157.83 102.85 1.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -123.07 139.69 53.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.567 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 15.3 m -125.6 123.74 39.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 m -96.08 127.56 42.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.217 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tp -107.66 141.89 38.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -106.55 118.29 36.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.63 128.37 44.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.2 m -79.23 -35.74 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 67' ' ' ARG . 2.6 t -97.33 172.59 7.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.5 p -76.64 7.66 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 18.5 mtp180 -125.95 133.0 51.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.66 163.36 36.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.1 m -127.44 103.21 7.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.751 HG12 HD11 ' A' ' 73' ' ' LEU . 73.8 t -67.18 103.86 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.7 t -112.8 158.09 20.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.74 56.41 2.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.751 HD11 HG12 ' A' ' 70' ' ' VAL . 1.8 mt -127.77 177.79 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.898 0.38 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -103.93 140.5 21.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.535 0.683 . . . . 0.0 110.928 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 138.75 38.47 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.35 49.84 74.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.3 m -146.96 110.99 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 111.138 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -52.44 149.52 5.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -146.88 133.04 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 51' ' ' LYS . 82.3 t -95.08 106.87 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.14 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.733 ' HE1' HG11 ' A' ' 70' ' ' VAL . 94.7 m-85 -91.09 153.82 19.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -157.13 110.14 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.431 ' N ' ' OG ' ' A' ' 95' ' ' SER . 45.4 t -89.01 143.25 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 84' ' ' ARG . 1.3 ptp180 -142.65 160.5 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -107.52 143.3 36.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ttt85 -128.05 130.94 49.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 88' ' ' SER . 23.8 p -123.29 149.57 44.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 87' ' ' THR . 41.9 t -37.93 -47.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' A' ' 8' ' ' GLN . . . -54.51 -65.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -159.26 -141.06 3.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.6 m -131.76 159.47 38.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -100.43 -121.33 4.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -134.17 156.26 48.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.413 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 3.4 m-85 -75.0 132.3 41.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 27.3 p -52.21 178.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -60.55 148.4 38.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.58 106.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.429 ' HE1' HD22 ' A' ' 29' ' ' LEU . 2.1 ttt -95.37 142.63 27.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.424 ' N ' ' HG2' ' A' ' 98' ' ' MET . 29.6 mt-10 -120.51 124.05 44.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 79.5 t -144.99 131.54 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -100.75 120.46 40.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.6 p -52.38 -179.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.05 108.6 2.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -54.96 150.62 18.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 110.835 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 89.63 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.3 m -141.51 165.67 26.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.829 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -123.43 168.35 15.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 109' ' ' SER . 53.2 Cg_endo -69.73 4.14 2.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' PRO . 27.1 t -34.31 -42.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.4 t -114.73 127.78 55.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.456 179.941 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -63.05 -57.43 10.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 p -118.89 158.97 24.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.8 -100.52 0.98 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 m -43.76 -44.85 6.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -55.91 147.92 18.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.06 -130.47 1.12 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -71.9 121.94 19.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.332 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.23 155.23 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 153.56 89.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.726 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -174.91 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.479 ' CB ' ' H ' ' A' ' 36' ' ' GLN . 7.6 t -90.98 131.61 36.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -57.4 108.81 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -52.01 102.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -100.77 -2.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.627 HG11 ' HB2' ' A' ' 32' ' ' GLN . 33.4 t -92.55 104.77 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.9 mt -142.68 124.31 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 -133.34 160.47 37.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -105.73 103.06 12.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -65.7 -58.6 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -141.78 169.07 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -151.46 122.75 7.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.21 -147.27 17.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -89.63 -53.19 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.4 p -117.76 17.96 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.8 p -141.91 160.74 39.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.7 t -154.96 132.33 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.4 t -96.94 135.84 38.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.571 HD11 ' CG ' ' A' ' 81' ' ' PHE . 30.3 mt -121.69 140.59 52.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.486 ' CD1' ' HG2' ' A' ' 67' ' ' ARG . 9.6 tp -128.29 109.5 11.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.47 ' CH2' HD11 ' A' ' 46' ' ' ILE . 43.5 p90 -121.2 144.75 48.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.627 ' HB2' HG11 ' A' ' 16' ' ' VAL . 9.6 mt-30 -94.65 161.77 14.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -57.71 160.63 7.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.695 0.759 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' GLN . 54.4 Cg_endo -69.71 122.12 8.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' PRO . 20.9 mt-10 -32.6 -35.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 34' ' ' PRO . 20.2 mt-30 -148.67 102.26 3.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.579 0.704 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -34.56 14.17 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.256 . . . . 0.0 112.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 56.56 35.65 26.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.68 -156.28 26.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.517 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.3 mp -101.36 141.82 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.493 ' HA ' HG22 ' A' ' 87' ' ' THR . 29.5 mt -107.76 132.0 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mt -81.21 -60.01 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -161.37 170.51 19.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 83.3 m-85 -109.49 149.13 30.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -119.38 144.2 47.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.523 HG12 HG22 ' A' ' 83' ' ' VAL . 13.2 mt -126.6 118.18 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -103.43 119.17 38.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -124.73 132.02 53.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.582 ' CE1' ' HG3' ' A' ' 54' ' ' GLU . 4.1 p90 -149.34 167.07 27.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -69.71 102.28 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.549 ' CB ' HG23 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -46.26 -31.35 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.458 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 21.9 t70 -74.37 -48.01 30.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -74.41 -66.12 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.582 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 6.7 tt0 56.25 47.96 18.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.18 173.9 9.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.32 -48.02 77.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.9 t -64.05 104.17 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -123.4 149.42 45.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.01 153.51 17.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.87 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.3 m -133.4 146.09 50.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 tp -122.49 155.23 36.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -120.18 133.83 55.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.71 133.06 23.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.4 m -86.9 -31.51 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.9 t -97.82 166.69 11.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.1 p -81.0 17.97 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.486 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 33.0 mtm180 -136.64 123.86 21.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.74 151.26 32.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.4 m -124.53 105.78 9.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 81' ' ' PHE . 87.2 t -64.94 108.74 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 t -111.12 155.43 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.99 40.2 4.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 mt -112.93 164.75 13.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -88.33 142.41 31.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.569 0.699 . . . . 0.0 110.932 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 150.06 67.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.258 . . . . 0.0 112.33 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 53.57 45.28 67.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 39.6 m -145.96 107.66 4.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 111.132 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -54.72 146.64 16.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -139.94 130.17 25.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.549 HG23 ' CB ' ' A' ' 51' ' ' LYS . 99.5 t -90.3 119.5 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CG ' HD11 ' A' ' 29' ' ' LEU . 96.0 m-85 -101.93 151.83 21.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.524 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 47.0 mt-30 -150.71 115.06 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.523 HG22 HG12 ' A' ' 46' ' ' ILE . 62.1 t -106.28 143.77 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.552 ' HD3' ' CD1' ' A' ' 94' ' ' PHE . 20.2 ptt180 -153.3 153.28 32.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.473 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -101.71 135.54 43.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -118.26 111.93 19.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.493 HG22 ' HA ' ' A' ' 41' ' ' ILE . 61.5 p -102.35 141.97 34.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 87' ' ' THR . 1.6 t -33.87 -42.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.56 -64.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.092 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.47 179.09 27.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.432 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 53.7 t -109.02 132.12 54.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -77.45 171.6 55.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -90.05 144.91 25.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.355 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.552 ' CD1' ' HD3' ' A' ' 84' ' ' ARG . 7.3 m-85 -57.43 131.39 49.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.6 t -58.22 175.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -52.29 145.66 10.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.06 109.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.477 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 1.4 tpt -79.09 146.87 32.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.477 ' N ' ' HG3' ' A' ' 98' ' ' MET . 10.6 mt-10 -124.12 124.24 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 96.2 t -155.44 140.48 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -109.15 148.1 31.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 46.5 p -91.67 172.77 8.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -68.48 127.82 23.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -66.11 149.35 97.82 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.701 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.58 3.39 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 99.2 p -45.32 -50.73 11.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -161.38 156.82 28.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -13.45 34.64 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 110' ' ' SER . 2.1 m -125.55 160.62 29.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 109' ' ' SER . 2.8 t -37.91 -57.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -42.21 -60.53 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 m -56.72 123.07 13.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.49 70.35 0.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 m -80.24 -59.02 2.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.914 0.388 . . . . 0.0 110.899 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -53.24 123.99 13.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.35 -124.08 0.97 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -112.14 160.56 17.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.954 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.92 156.3 24.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.57 150.87 57.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.702 . . . . 0.0 111.062 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.492 ' HG3' HG23 ' A' ' 87' ' ' THR . 53.6 Cg_endo -69.77 148.57 65.28 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.383 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.0 p -71.39 131.05 42.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -54.72 121.52 8.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 16' ' ' VAL . 61.9 t -56.43 120.07 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.9 m -109.89 17.98 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 16' ' ' VAL . 4.3 p -129.7 114.3 30.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.526 HG21 ' SD ' ' A' ' 98' ' ' MET . 18.9 mt -142.89 137.36 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -135.47 139.47 44.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -94.31 104.22 16.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.412 ' C ' ' HG2' ' A' ' 21' ' ' ARG . 13.4 mt-10 -58.42 -63.46 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HG2' ' C ' ' A' ' 20' ' ' GLU . 26.8 mmt85 -149.65 147.69 28.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.01 103.01 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.6 175.88 17.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -55.6 133.57 50.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.748 HG22 ' O ' ' A' ' 73' ' ' LEU . 27.2 p 39.87 32.0 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.8 p -154.61 146.33 23.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.0 t -156.29 131.06 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.2 t -101.21 129.91 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.61 HD11 ' CD1' ' A' ' 81' ' ' PHE . 94.8 mt -116.78 133.99 55.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.3 tp -127.58 102.02 6.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 45.9 p90 -112.99 143.71 43.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.492 ' OE1' ' N ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -91.82 148.09 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' A' ' 32' ' ' GLN . 2.7 mt-10 -51.95 150.13 8.17 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.642 0.734 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 138.33 37.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.3 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.44 -37.91 40.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 17.0 mm-40 -133.61 101.96 12.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.569 0.699 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 54.3 Cg_endo -69.69 -35.04 13.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 55.29 45.49 25.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 135.9 -163.29 25.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 40' ' ' ILE . 5.0 mp -98.5 126.41 51.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 111.148 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.469 ' HA ' HG22 ' A' ' 87' ' ' THR . 22.7 mt -91.71 110.53 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.21 -62.97 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -156.06 159.52 39.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 60.7 m-85 -99.59 135.78 40.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -102.29 137.55 40.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.603 HD12 HD23 ' A' ' 61' ' ' LEU . 13.8 mt -118.76 116.03 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . 51.3 tttt -100.29 115.38 29.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 59' ' ' SER . 33.1 p90 -128.04 126.83 42.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.464 ' CE1' ' HG3' ' A' ' 54' ' ' GLU . 4.0 p90 -144.1 165.53 27.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.464 ' CB ' ' HB2' ' A' ' 53' ' ' LYS . 9.1 mt-10 -54.6 111.08 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.752 ' HA ' HG23 ' A' ' 80' ' ' VAL . 13.8 tptp -42.07 -53.48 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.5 -40.39 64.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -101.53 104.9 15.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.464 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 3.0 mp0 -96.66 -59.47 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.461 ' O ' ' C ' ' A' ' 56' ' ' GLN . 21.8 mmt -55.49 -39.02 69.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 55' ' ' MET . 54.2 tp60 -33.35 -68.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.9 t -168.39 152.02 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -126.15 136.5 52.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 48' ' ' TYR . 4.9 m -108.79 146.95 32.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.7 m -126.85 145.42 50.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.603 HD23 HD12 ' A' ' 46' ' ' ILE . 8.6 tp -136.26 133.21 36.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -99.98 126.45 46.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.37 128.59 44.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.4 m -77.05 -35.86 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 t -99.14 169.6 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.6 p -80.97 15.3 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -134.62 123.33 23.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.11 145.04 21.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.7 m -114.1 103.82 11.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.15 103.03 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.4 m -110.91 135.13 51.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.26 37.14 0.76 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.748 ' O ' HG22 ' A' ' 25' ' ' THR . 19.9 mt -112.52 176.71 4.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.843 0.354 . . . . 0.0 110.915 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' HZ2' HG21 ' A' ' 77' ' ' THR . 6.0 mtmp? -92.83 143.06 26.36 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 110.917 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.94 64.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.34 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.41 39.94 37.55 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.555 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.423 HG21 ' HZ2' ' A' ' 74' ' ' LYS . 88.0 m -135.33 112.91 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 0.0 111.167 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -55.25 151.41 9.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -144.14 152.89 41.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.752 HG23 ' HA ' ' A' ' 51' ' ' LYS . 98.9 t -112.03 111.34 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CD1' HD11 ' A' ' 29' ' ' LEU . 83.6 m-85 -95.57 150.4 20.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -153.34 108.12 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.418 ' HB ' HD11 ' A' ' 17' ' ' ILE . 59.5 t -91.26 143.1 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.405 ' HD3' ' CE1' ' A' ' 94' ' ' PHE . 28.8 ptt180 -146.32 158.58 43.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.449 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -112.99 126.66 55.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.428 ' C ' ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -114.0 135.96 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.492 HG23 ' HG3' ' A' ' 11' ' ' PRO . 60.1 p -129.35 152.92 48.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' THR . 94.1 p -38.44 -43.68 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.18 -59.02 4.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -160.82 -135.43 1.82 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 42.5 t -146.21 127.38 14.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.344 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -72.94 -174.49 26.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -95.72 157.25 15.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.352 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 47' ' ' LYS . 4.3 m-85 -71.16 132.66 45.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.1 p -52.07 177.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -58.94 144.9 43.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.63 107.27 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.526 ' SD ' HG21 ' A' ' 17' ' ' ILE . 16.5 ttt -92.15 147.1 23.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -121.75 123.58 42.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 75.6 t -145.6 141.16 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -112.87 149.27 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 62.6 p -90.18 179.22 5.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.13 136.32 25.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.68 143.14 50.2 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.85 24.19 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.3 t -39.76 -59.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -122.83 -171.98 13.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 93.15 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.312 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.3 t -47.73 -56.43 7.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.4 t -49.02 -52.52 24.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.439 -0.265 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.1 p -64.01 -42.59 97.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.823 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.8 p -119.16 110.78 17.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.75 -117.22 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 t -74.08 127.74 33.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.873 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -94.42 -49.48 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.89 -78.15 0.27 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -87.8 167.71 13.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.7 167.54 13.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.5 150.87 52.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 174.57 9.32 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.408 ' HB2' ' H ' ' A' ' 36' ' ' GLN . 2.0 t -88.62 178.8 6.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.474 ' OE1' ' C ' ' A' ' 14' ' ' VAL . 0.7 OUTLIER -101.12 125.53 47.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 14' ' ' VAL . 15.1 m -74.06 112.81 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 m -100.17 17.92 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.0 t -117.49 105.3 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.453 HD12 ' OG ' ' A' ' 95' ' ' SER . 10.1 mt -141.72 127.47 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -134.29 145.27 48.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -90.73 112.11 23.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' CG ' ' HG ' ' A' ' 30' ' ' LEU . 3.6 mm-40 -69.43 -55.94 8.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -152.73 156.25 38.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.05 122.09 16.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -129.36 -159.78 9.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -67.31 122.55 18.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 p 42.41 31.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.3 p -148.4 134.64 19.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.496 HG11 ' CE2' ' A' ' 81' ' ' PHE . 95.9 t -145.49 141.62 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.2 t -109.27 141.14 41.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 81' ' ' PHE . 82.2 mt -121.49 151.82 39.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 30' ' ' LEU . 3.9 mt -136.16 113.23 10.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.567 ' CG ' HG11 ' A' ' 83' ' ' VAL . 31.8 p90 -133.36 163.81 28.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -123.27 163.82 19.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -54.33 145.9 34.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 35' ' ' GLU . 53.7 Cg_endo -69.77 145.92 58.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 34' ' ' PRO . 35.0 mt-10 -32.27 -63.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.423 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 4.2 pt20 -122.31 102.03 40.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 36' ' ' GLN . 54.2 Cg_endo -69.73 -25.56 28.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 53.23 38.97 28.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.91 171.22 12.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.498 ' H ' HD12 ' A' ' 40' ' ' ILE . 5.2 mp -67.66 133.94 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.468 HG21 ' CE1' ' A' ' 44' ' ' TYR . 50.4 mt -92.33 107.72 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -51.7 -56.48 13.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -167.85 161.21 12.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.468 ' CE1' HG21 ' A' ' 41' ' ' ILE . 41.9 m-85 -100.04 152.75 19.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 10.4 mt-10 -125.46 131.49 52.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.595 HD13 HD23 ' A' ' 61' ' ' LEU . 5.2 mp -110.11 135.6 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HG3' ' CD2' ' A' ' 58' ' ' TYR . 11.7 tttp -111.83 115.33 28.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.5 ' CE2' ' HB2' ' A' ' 59' ' ' SER . 30.9 p90 -123.65 119.34 29.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.562 ' CE1' ' HG3' ' A' ' 54' ' ' GLU . 10.8 p90 -133.41 158.41 43.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 53' ' ' LYS . 3.7 mt-10 -56.11 109.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' HA ' HG23 ' A' ' 80' ' ' VAL . 18.8 tptp -49.18 -53.34 21.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.97 -42.69 72.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 50' ' ' GLU . 49.1 mmtt -101.82 106.16 17.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.562 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 9.4 mp0 -103.24 114.76 29.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.453 ' HE1' ' HB2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -128.37 149.02 50.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -47.76 -42.41 25.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.1 t -74.08 111.33 9.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.492 ' CD2' ' HG3' ' A' ' 47' ' ' LYS . 45.0 p90 -122.87 154.42 38.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.5 ' HB2' ' CE2' ' A' ' 48' ' ' TYR . 24.7 m -95.98 134.46 38.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.4 m -119.67 138.61 53.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.595 HD23 HD13 ' A' ' 46' ' ' ILE . 9.6 tp -113.47 140.6 47.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -101.87 117.47 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.53 128.63 52.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.3 m -82.68 -35.11 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 66' ' ' THR . 1.5 t -98.89 175.53 5.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.446 ' N ' ' OG1' ' A' ' 65' ' ' THR . 20.6 p -82.2 15.85 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.433 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 61.6 mtt-85 -139.67 128.67 23.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.81 152.82 31.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.0 m -121.03 105.45 10.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.505 ' CG1' HD21 ' A' ' 73' ' ' LEU . 92.6 t -68.9 102.66 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 t -106.98 161.9 14.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.05 37.6 9.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.505 HD21 ' CG1' ' A' ' 70' ' ' VAL . 16.5 mt -104.34 178.97 4.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -87.08 133.47 38.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.519 0.676 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 145.21 56.34 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.65 42.31 51.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.6 m -143.43 116.05 8.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 111.177 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.412 ' HB3' ' CB ' ' A' ' 51' ' ' LYS . 33.4 mtt-85 -57.31 142.43 43.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -132.97 140.37 47.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 98' ' ' MET . 42.9 t -96.97 110.6 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.496 ' CE2' HG11 ' A' ' 27' ' ' VAL . 93.7 m-85 -91.67 153.53 19.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.487 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 45.6 mt-30 -157.63 116.56 3.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.567 HG11 ' CG ' ' A' ' 31' ' ' TRP . 67.4 t -88.92 148.25 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.462 ' HG2' ' CE1' ' A' ' 94' ' ' PHE . 4.0 ptp180 -151.96 160.08 43.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.61 170.33 8.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.7 ttm-85 -147.38 107.77 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 40' ' ' ILE . 9.7 p -124.53 149.21 47.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 p -39.52 -50.84 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.14 -60.71 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -147.32 -177.14 21.58 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 92' ' ' GLY . 78.6 m -112.14 17.2 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 91' ' ' CYS . . . 43.96 -169.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -112.39 159.45 18.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 82' ' ' GLN . 13.9 m-85 -59.74 171.23 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.458 ' HB3' HG23 ' A' ' 14' ' ' VAL . 78.5 p -79.03 -78.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 95' ' ' SER . 39.0 mt-30 -163.27 160.62 24.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.08 102.0 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.494 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 1.4 tpt -93.42 149.23 21.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.494 ' N ' ' HG3' ' A' ' 98' ' ' MET . 32.2 mt-10 -125.1 124.5 42.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 92.5 t -152.8 149.52 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -116.45 141.39 48.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 75.7 p -81.8 176.6 9.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.95 116.6 4.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -58.19 154.34 31.39 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.524 0.678 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 135.72 31.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.4 m -121.14 148.04 44.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -159.58 145.89 12.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.474 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 123.73 10.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.5 m -123.7 116.12 22.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.7 m -68.95 144.74 54.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.978 . . . . . . . . 0 0 . 1 stop_ save_