data_2dmz_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 2dmz _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 ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.816 0.341 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.419 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . 2.5 m-85 -100.72 171.69 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -130.11 129.82 44.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.9 m -94.55 144.82 25.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -148.36 147.45 29.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -98.49 138.76 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.47 HG23 ' CD1' ' A' ' 102' ' ' LEU . 2.5 t -123.85 114.27 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.443 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 15.0 tt0 -88.9 97.57 11.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 65' ' ' ILE . 63.0 mt -85.56 147.93 26.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.8 p -111.4 134.73 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -105.22 104.95 14.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -50.63 175.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -67.05 83.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.08 40.52 2.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -120.4 160.14 23.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.7 p -111.38 178.56 4.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.1 tp -68.56 -52.67 29.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.43 43.76 29.69 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.1 mt -131.56 119.39 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -89.99 135.71 33.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.1 pt -114.28 160.24 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.5 p -133.81 141.75 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.637 ' N ' HD22 ' A' ' 84' ' ' ASN . . . -103.96 109.53 3.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.911 0.386 . . . . 0.0 110.935 -179.832 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.984 0.421 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.95 -178.59 20.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.516 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.1 mm -89.87 123.08 41.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.508 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 80.1 m-85 -127.26 150.79 49.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 97.0 t -72.23 95.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.14 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -58.57 -45.55 88.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.444 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 4.3 m -159.31 179.11 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.7 t -137.04 110.17 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.3 mp -60.22 128.17 87.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.651 0.739 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.9 66.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.653 2.236 . . . . 0.0 112.364 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.97 29.06 69.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.53 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 6.3 p -122.2 174.51 6.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.66 -55.82 19.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.18 -56.02 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -54.11 -51.26 64.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 57' ' ' SER . 66.8 m-70 -55.41 -54.76 39.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -50.12 -53.81 24.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.55 29.73 35.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.466 ' CB ' HG12 ' A' ' 19' ' ' VAL . 14.1 m170 -115.62 -40.53 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.311 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 21' ' ' LEU . 18.0 mt -97.67 122.42 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.3 mp0 -143.94 168.94 18.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.444 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 27.3 m -50.09 170.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 62.18 41.65 10.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -134.24 148.04 50.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.508 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.7 ttpt -109.56 111.24 22.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.408 HG22 ' CD1' ' A' ' 100' ' ' LEU . 5.3 mp -82.56 121.03 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 101' ' ' THR . 6.4 m -102.52 -22.88 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.43 144.14 13.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.48 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 84.1 t -115.42 115.83 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.48 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 2.4 p30 51.13 33.66 9.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.17 -22.73 38.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.76 109.65 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -68.98 86.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.6 pt -86.83 14.67 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' ILE . 66.6 mt-30 -37.59 -62.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.07 48.12 0.98 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.2 m-85 -101.7 168.26 9.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.39 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.76 153.05 22.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.637 HD22 ' N ' ' A' ' 35' ' ' GLY . 25.8 m120 -38.26 -54.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -63.26 -43.08 99.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -60.66 -31.12 70.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 69.9 t -78.95 -35.6 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.5 -53.13 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.03 -38.49 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.54 -46.25 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.4 mt -59.2 -47.55 84.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -61.74 -40.94 96.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -64.04 -38.37 90.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.83 145.3 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.32 -157.51 32.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -51.39 -62.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.04 100.64 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 70.5 t -110.53 105.42 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 75' ' ' ASP . 13.0 m80 -90.55 93.29 9.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -78.18 135.5 37.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.468 ' N ' HD12 ' A' ' 100' ' ' LEU . 11.6 m -108.35 106.17 16.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.47 ' CD1' HG23 ' A' ' 19' ' ' VAL . 1.3 mp -116.92 158.75 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.419 ' CG2' ' HB2' ' A' ' 14' ' ' PHE . 3.3 p -140.81 112.16 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -113.29 154.21 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -61.37 126.5 27.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.6 mttt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mm? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.848 0.356 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.469 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . 2.8 m-85 -104.53 170.91 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -126.7 130.88 51.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -96.76 135.32 38.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 102' ' ' LEU . 32.2 p90 -141.86 151.25 42.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.961 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.45 ' N ' HD21 ' A' ' 18' ' ' ASN . 1.7 m-80 -104.62 134.36 47.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.447 HG21 ' CD1' ' A' ' 102' ' ' LEU . 2.4 t -119.01 113.69 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.505 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 8.2 tt0 -85.42 103.03 13.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.0 mt -94.03 142.61 27.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 p -105.95 136.59 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -115.74 109.77 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -49.71 -179.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -72.29 83.02 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.828 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.87 35.64 2.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -120.08 136.66 54.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.1 p -83.84 156.79 22.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.1 tp -48.49 -52.85 20.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.89 51.41 4.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 86.0 mt -142.21 114.15 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 111.146 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -84.63 144.69 28.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.4 pt -121.19 170.95 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 p -155.25 141.89 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.75 131.31 10.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.938 0.399 . . . . 0.0 110.955 -179.849 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.5 p . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.939 0.4 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.28 174.39 16.5 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mm -85.4 128.57 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 111.142 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.514 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 91.2 m-85 -129.29 159.75 35.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.2 t -82.12 101.72 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -67.12 -35.5 79.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -164.58 174.68 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.0 t -134.19 95.49 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.0 mp -40.72 132.43 1.77 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 160.9 48.0 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.723 2.282 . . . . 0.0 112.335 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 48.07 35.49 13.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.8 p -117.99 175.47 5.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.883 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.2 -56.73 17.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.43 -43.73 62.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -66.07 -47.49 74.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -56.43 -48.62 76.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -59.11 -47.05 86.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.33 34.42 54.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -117.03 -39.59 3.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.5 mt -95.99 128.67 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -143.98 172.53 12.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.437 HG22 ' ND2' ' A' ' 68' ' ' ASN . 28.1 m -59.34 173.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.437 ' ND2' HG22 ' A' ' 67' ' ' VAL . 2.4 m-20 62.8 35.23 13.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.51 152.38 50.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 4.5 ttpp -113.41 128.34 56.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.0 mp -96.79 128.87 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.9 m -107.93 -22.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.62 145.69 18.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.2 t -121.32 107.8 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.7 t70 63.83 31.03 14.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.87 -15.56 62.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.5 t -82.51 114.39 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -68.82 91.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.2 pt -85.12 16.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.47 96.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.07 -16.15 33.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -51.72 129.93 27.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.929 0.395 . . . . 0.0 110.848 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.433 ' HB1' ' CE1' ' A' ' 85' ' ' HIS . . . -62.95 157.93 20.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -39.48 -52.6 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.433 ' CE1' ' HB1' ' A' ' 83' ' ' ALA . 38.9 p-80 -68.7 -48.83 62.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -46.02 -36.86 6.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.7 t -76.09 -37.38 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.33 -56.77 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 9.7 pt-20 -53.13 -37.19 61.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.444 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 93.3 t -57.57 -46.99 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.41 -46.14 91.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -59.9 -40.25 88.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -63.52 -38.75 92.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.93 161.46 2.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.85 -149.13 9.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -58.07 -58.31 9.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.862 0.363 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 90.4 t -75.48 96.53 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.45 106.1 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 20.1 m80 -89.96 92.23 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 101' ' ' THR . 0.2 OUTLIER -75.8 127.46 33.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.453 ' N ' HD11 ' A' ' 100' ' ' LEU . 8.3 m -100.66 111.93 24.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 2.4 mp -119.49 155.28 32.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 14' ' ' PHE . 2.1 p -133.74 107.21 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -107.56 154.73 20.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -67.47 132.46 47.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.0 mttm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.854 0.359 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -100.82 173.55 6.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.424 ' HB3' ' CE ' ' A' ' 106' ' ' LYS . 2.2 pt-20 -135.82 129.71 32.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 17' ' ' TYR . 90.1 m -94.32 139.84 30.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.416 ' N ' HG22 ' A' ' 16' ' ' THR . 42.7 p90 -144.3 145.04 31.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -95.1 136.25 35.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 102' ' ' LEU . 2.9 t -121.94 115.47 46.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 20' ' ' GLU . 4.4 tm-20 -90.35 102.03 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.419 HD11 ' CD1' ' A' ' 65' ' ' ILE . 47.1 mt -92.41 137.63 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.6 131.7 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.186 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -99.1 106.97 19.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -57.87 169.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.74 85.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.88 44.13 5.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.456 ' HG2' ' N ' ' A' ' 28' ' ' SER . 40.8 tt0 -118.1 152.6 35.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.347 . . . . 0.0 110.907 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.456 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 65.2 m -102.26 152.07 21.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.1 tp -46.39 -61.18 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.427 ' C ' HD13 ' A' ' 54' ' ' ILE . . . 89.64 47.34 4.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.55 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.8 mt -136.26 121.0 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -94.97 128.66 41.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.404 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 7.5 pt -106.31 173.75 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 p -152.14 147.46 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.58 106.99 3.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.914 -179.8 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.947 0.403 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.76 -164.14 34.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.404 ' CG2' ' HB ' ' A' ' 33' ' ' ILE . 17.7 mm -101.05 137.53 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.491 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 13.5 m-85 -137.34 146.94 45.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.6 t -69.21 101.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -68.1 -42.94 79.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.7 m -160.38 170.54 20.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.4 t -132.6 105.4 8.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.427 HD13 ' C ' ' A' ' 30' ' ' GLY . 4.2 mp -51.6 130.43 35.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.659 0.742 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 156.01 64.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.7 28.59 63.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.5 p -115.03 170.85 8.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.32 -51.84 41.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.24 -53.69 55.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -53.13 -51.84 60.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -53.88 -53.09 57.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -49.77 -54.78 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.75 33.5 24.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.446 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.462 ' CB ' HG12 ' A' ' 19' ' ' VAL . 12.3 m-70 -118.68 -39.7 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.419 ' CD1' HD11 ' A' ' 21' ' ' LEU . 17.4 mt -93.48 125.97 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -143.17 167.13 22.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.5 m -56.82 171.68 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 64.66 40.24 5.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -133.38 157.06 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 18.0 ttpt -116.24 113.4 22.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.0 mp -83.84 121.07 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.411 ' CG2' HG23 ' A' ' 101' ' ' THR . 9.1 m -105.51 -29.04 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.4 142.68 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.0 t -129.32 118.97 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.4 t70 63.63 35.91 11.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.96 25.33 69.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.7 t -124.86 116.69 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -62.88 96.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.499 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.6 pt -86.91 15.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.181 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -56.92 92.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.25 -25.54 7.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 7.0 m-85 -47.78 130.78 14.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.895 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.439 ' N ' ' HB2' ' A' ' 86' ' ' ASP . . . -67.88 166.38 15.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -42.66 -60.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -63.06 -45.41 92.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.439 ' HB2' ' N ' ' A' ' 83' ' ' ALA . 10.3 m-20 -48.79 -32.33 8.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.5 t -82.59 -39.09 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.2 t -57.05 -49.98 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -58.87 -39.43 81.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 84.7 t -55.96 -42.7 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.8 mt -63.44 -47.7 80.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -59.48 -43.3 93.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -61.07 -40.01 92.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.22 157.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.37 -155.85 19.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -50.1 -61.38 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 89.5 t -73.6 95.42 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 96.1 t -104.8 100.03 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.408 ' NE2' ' HB2' ' A' ' 20' ' ' GLU . 6.1 m80 -86.74 99.93 12.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.63 132.52 34.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.411 HG23 ' CG2' ' A' ' 72' ' ' VAL . 9.9 m -105.6 109.37 21.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.469 ' CD1' HG22 ' A' ' 19' ' ' VAL . 1.5 mp -120.35 158.38 27.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.0 p -141.86 112.21 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -111.95 155.49 23.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -68.33 122.31 18.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.424 ' CE ' ' HB3' ' A' ' 15' ' ' GLU . 24.3 mttt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.829 0.347 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -113.4 159.98 18.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -119.28 133.56 55.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.2 m -98.95 142.98 29.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -144.31 144.74 31.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -96.5 133.07 41.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.468 HG21 ' CD1' ' A' ' 102' ' ' LEU . 2.5 t -119.37 113.21 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -88.28 93.92 9.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.441 HD22 ' ND2' ' A' ' 62' ' ' ASN . 52.7 mt -83.37 142.47 31.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.433 HG22 ' N ' ' A' ' 23' ' ' ARG . 11.7 p -108.3 140.66 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.433 ' N ' HG22 ' A' ' 22' ' ' VAL . 28.1 mtm180 -107.89 105.85 15.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -53.48 173.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -60.96 89.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.08 42.25 4.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.456 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -119.25 159.74 23.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.0 p -113.07 179.73 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 tp -74.74 -50.93 15.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.62 44.77 62.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.528 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.468 ' CG1' ' HB1' ' A' ' 59' ' ' ALA . 88.6 mt -129.03 99.54 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.106 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -72.57 133.38 44.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.9 pt -109.53 162.84 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.418 HG21 ' NZ ' ' A' ' 51' ' ' LYS . 5.4 p -135.86 142.97 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.88 109.2 3.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.821 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.12 -161.67 25.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.412 ' C ' ' CD1' ' A' ' 49' ' ' TYR . 28.0 mm -98.92 140.62 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.554 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 15.7 m-85 -142.77 159.77 41.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.0 t -78.01 105.82 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.418 ' NZ ' HG21 ' A' ' 34' ' ' VAL . 4.6 tppt? -69.5 -47.96 62.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.9 p -147.83 167.68 24.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.98 86.12 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.404 ' H ' ' CD1' ' A' ' 54' ' ' ILE . 4.8 mp -47.77 131.92 11.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 164.1 35.85 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.13 18.23 47.83 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 p -110.88 161.06 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.92 0.391 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.01 -47.37 11.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.468 ' HB1' ' CG1' ' A' ' 31' ' ' ILE . . . -57.91 -58.67 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -54.58 -55.48 28.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -50.15 -54.46 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.586 ' ND2' ' CD2' ' A' ' 64' ' ' HIS . 14.5 t30 -52.36 -45.86 65.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.12 35.31 53.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.586 ' CD2' ' ND2' ' A' ' 62' ' ' ASN . 76.7 m-70 -120.46 -38.9 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 110.823 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.411 ' CD1' HD11 ' A' ' 21' ' ' LEU . 20.2 mt -97.65 122.81 49.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.52 ' NE2' ' C ' ' A' ' 64' ' ' HIS . 10.9 mp0 -140.88 166.35 25.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.0 m -52.6 172.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 59.77 33.81 21.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.83 147.37 47.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.554 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.8 ttpt -108.66 120.06 41.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.8 mp -92.35 124.19 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.6 m -105.0 -22.09 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.76 141.18 16.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.8 t -124.33 123.99 67.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 99' ' ' HIS . 2.0 t70 62.73 30.25 16.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.33 20.84 65.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 81.5 t -120.31 121.58 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.377 . . . . 0.0 111.094 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -65.8 94.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.401 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 5.9 pt -90.05 17.77 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -59.92 90.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.4 -15.92 9.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 4.0 m-85 -54.01 133.24 43.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.468 ' N ' ' HB2' ' A' ' 86' ' ' ASP . . . -66.6 159.58 27.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -39.69 -54.36 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -68.25 -45.34 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.468 ' HB2' ' N ' ' A' ' 83' ' ' ALA . 4.0 m-20 -49.35 -33.24 13.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.92 -39.65 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 99.3 t -56.23 -49.84 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -59.82 -37.55 79.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 97.2 t -57.86 -45.42 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.5 -46.74 84.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -61.31 -40.96 96.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -62.28 -38.18 88.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.65 152.6 11.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.72 -150.5 23.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.457 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -54.06 -59.68 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.925 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.62 96.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 74.7 t -109.53 100.02 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 75' ' ' ASP . 11.4 m80 -84.74 103.61 13.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.07 131.66 34.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.6 m -106.96 111.2 23.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.18 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 19' ' ' VAL . 1.1 mp -119.38 159.63 23.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.01 111.76 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -113.33 160.4 18.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -66.09 132.12 47.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.859 0.361 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.444 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 11.7 m-85 -118.11 151.47 37.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -117.26 141.45 48.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.7 m -109.4 144.84 37.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -155.5 151.22 27.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.05 135.0 43.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.439 ' CG1' ' ND2' ' A' ' 62' ' ' ASN . 2.2 t -113.9 117.87 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.543 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 18.3 tt0 -92.68 90.12 6.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 65' ' ' ILE . 79.7 mt -78.18 147.66 34.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -111.49 132.01 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -111.06 107.21 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -52.04 -178.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -72.25 82.26 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.99 -43.21 1.39 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -52.65 139.99 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.339 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 m -101.44 159.78 14.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 tp -37.76 -69.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.68 55.33 2.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.445 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.466 ' CG1' ' HB3' ' A' ' 59' ' ' ALA . 66.1 mt -143.4 126.07 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.347 . . . . 0.0 111.072 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -99.98 138.65 36.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.0 pt -117.2 164.01 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.08 160.03 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -117.33 85.79 0.4 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.942 0.401 . . . . 0.0 110.923 -179.77 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.9 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.885 0.374 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.33 -153.05 23.56 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.3 mm -102.04 124.16 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 76.3 m-85 -130.1 145.89 51.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.36 104.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -67.71 -38.23 83.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -165.41 175.96 8.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.409 ' CG2' ' HA ' ' A' ' 66' ' ' GLN . 90.5 t -143.35 114.14 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -57.93 132.55 83.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 157.82 59.07 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.356 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.54 32.08 68.18 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.1 p -118.92 -176.35 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.361 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.67 -52.61 35.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.136 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.466 ' HB3' ' CG1' ' A' ' 31' ' ' ILE . . . -57.48 -46.67 83.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -63.33 -55.97 20.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -50.29 -56.16 12.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.439 ' ND2' ' CG1' ' A' ' 19' ' ' VAL . 21.2 t30 -47.64 -46.77 29.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.33 34.45 50.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -123.44 -32.06 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.786 0.327 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.464 ' CD1' HD12 ' A' ' 21' ' ' LEU . 21.1 mt -111.96 102.12 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.409 ' HA ' ' CG2' ' A' ' 53' ' ' VAL . 0.7 OUTLIER -140.64 175.74 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.7 m -42.31 164.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 60.6 45.99 9.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -138.42 135.8 35.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 4.0 ttpt -102.72 114.45 28.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.1 mp -86.44 124.14 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.3 m -104.77 -22.23 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -158.75 151.4 21.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.1 t -131.86 119.48 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 59.94 36.34 21.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.23 26.62 61.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.7 t -124.39 118.35 53.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.847 0.356 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -66.32 96.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.442 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 5.9 pt -92.61 18.19 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -59.33 93.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.18 -19.57 13.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.4 m-85 -47.7 134.07 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -71.04 153.14 42.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 83' ' ' ALA . 20.6 t-20 -34.44 -57.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.4 ' CE1' ' HB1' ' A' ' 83' ' ' ALA . 12.4 p-80 -64.81 -46.79 80.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 83' ' ' ALA . 1.3 m-20 -51.56 -32.81 29.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.8 t -81.64 -33.59 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 72.9 t -58.81 -51.53 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.42 -41.54 72.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.99 -39.93 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.4 mt -65.88 -47.03 76.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -58.05 -43.45 86.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -58.9 -36.35 74.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.84 145.37 55.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -104.64 -150.07 20.12 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -48.81 -60.9 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 81.9 t -73.59 101.54 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 65.6 t -110.98 104.35 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.543 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 11.2 m80 -89.39 92.42 9.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.41 132.63 34.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.7 m -106.78 110.29 22.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.427 ' CD1' HG23 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -122.39 165.08 16.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.6 p -139.7 106.56 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -104.45 160.35 14.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -71.16 126.48 29.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.444 ' HD2' ' C ' ' A' ' 14' ' ' PHE . 14.2 mtpt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.442 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 21.2 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.878 0.371 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.482 ' CE2' ' HD2' ' A' ' 105' ' ' ARG . 8.9 m-85 -111.15 157.62 19.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -124.02 131.66 53.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.3 m -97.06 144.19 27.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.409 ' CE1' ' NE ' ' A' ' 104' ' ' ARG . 48.3 p90 -151.18 153.65 35.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.03 132.03 51.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.474 ' CG1' ' ND2' ' A' ' 62' ' ' ASN . 2.0 t -113.14 109.91 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 32.4 tt0 -86.96 88.58 7.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.3 mt -79.85 137.23 36.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -102.09 132.22 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -101.57 99.54 9.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -50.87 179.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -60.86 89.85 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.9 -39.49 2.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.518 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -48.86 119.56 3.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.5 m -86.44 173.0 9.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 tp -56.53 -65.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.04 55.47 3.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.5 mt -137.16 120.3 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 111.129 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -96.13 139.0 32.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.6 pt -117.96 173.14 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 p -152.03 149.47 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.416 ' N ' HD22 ' A' ' 84' ' ' ASN . . . -102.7 115.28 5.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.946 0.403 . . . . 0.0 110.884 -179.793 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.9 p . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.923 0.392 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.25 -169.65 42.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.7 mm -99.96 122.16 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.161 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.525 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 37.1 m-85 -129.06 148.67 51.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.5 t -63.9 120.18 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -78.83 -40.54 32.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.43 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 1.8 m -167.74 169.46 11.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.4 t -130.19 129.56 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.3 mp -75.86 124.93 88.76 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.719 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 121.87 8.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.0 16.57 18.69 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.7 p -112.82 176.18 5.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 0.0 110.893 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.94 -46.95 87.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.07 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.5 -32.88 69.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -82.17 -18.96 40.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.979 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -77.32 -46.29 23.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.474 ' ND2' ' CG1' ' A' ' 19' ' ' VAL . 16.2 t-20 -68.42 -40.22 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.72 18.73 78.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -106.04 -15.5 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 38.2 mt -122.24 95.11 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.93 177.91 7.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 16.3 m -50.36 165.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 64.94 38.37 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -130.93 157.53 42.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.8 ttpt -119.36 126.19 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.4 HG23 ' CD1' ' A' ' 100' ' ' LEU . 41.3 mt -94.36 123.87 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 m -102.79 -34.12 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.84 149.81 30.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.3 t -132.41 110.09 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.06 39.03 13.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.6 24.6 67.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.4 t -119.23 108.42 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -64.14 93.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 81' ' ' GLY . 6.5 pt -88.45 10.08 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -58.48 78.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 122.71 17.65 3.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -87.96 149.13 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -73.59 145.58 45.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.055 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' ALA . 4.5 m120 -34.52 -61.32 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -59.36 -45.02 92.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.53 -29.35 24.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.3 t -83.39 -35.27 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.3 t -60.71 -41.71 89.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 4.4 pt-20 -68.26 -31.64 71.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.438 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 93.7 t -65.66 -46.13 90.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.12 -42.56 99.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -64.82 -37.81 88.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 89' ' ' GLU . 28.6 m-80 -63.65 -32.82 74.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.22 148.53 36.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.51 -158.66 28.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -43.81 -61.04 1.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 90.9 t -73.94 96.55 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 56.4 t -102.72 97.23 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.502 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 5.2 m80 -82.04 94.78 7.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -85.68 125.59 33.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.457 ' N ' HD12 ' A' ' 100' ' ' LEU . 6.5 m -102.48 116.38 32.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.37 160.08 39.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.447 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 2.5 p -132.66 121.28 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.409 ' NE ' ' CE1' ' A' ' 17' ' ' TYR . 70.1 mtm180 -108.01 155.45 20.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.482 ' HD2' ' CE2' ' A' ' 14' ' ' PHE . 37.9 ttt180 -78.47 120.89 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.442 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 8.9 mttm . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.851 0.357 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.464 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 9.5 m-85 -111.78 167.86 10.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -131.7 121.11 23.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 85.6 m -83.82 127.87 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 102' ' ' LEU . 25.2 p90 -131.0 147.29 52.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.82 142.85 33.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.3 t -125.37 109.53 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -86.47 91.19 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.447 HD13 ' CD1' ' A' ' 65' ' ' ILE . 59.5 mt -78.86 154.61 29.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.2 p -116.59 129.43 73.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -99.09 104.62 16.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.423 ' N ' ' HB3' ' A' ' 27' ' ' GLN . 52.4 mttt -59.72 -179.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.61 89.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 79.18 36.28 27.95 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' HB3' ' N ' ' A' ' 24' ' ' LYS . 6.5 tp60 -103.31 122.37 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.93 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 m -80.43 168.71 18.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.434 ' CD2' HD21 ' A' ' 91' ' ' LEU . 11.1 tp -61.8 -62.89 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.11 48.34 5.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.527 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.7 mt -131.62 110.71 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.345 . . . . 0.0 111.113 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -84.68 131.26 34.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.5 pt -110.85 175.96 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.3 p -156.76 143.44 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.45 115.4 4.71 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.926 0.393 . . . . 0.0 110.924 -179.812 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.53 -171.01 31.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 mm -96.96 123.49 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 81.1 m-85 -123.67 153.64 40.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.2 t -75.92 105.56 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -70.01 -41.85 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -159.2 169.73 23.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.8 t -131.59 98.97 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.6 mp -52.31 123.06 27.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.63 0.728 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 154.54 67.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.33 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.19 14.43 80.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 p -112.11 179.15 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.841 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.02 79.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.46 -47.6 78.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -67.8 -41.48 83.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -59.02 -47.07 86.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -58.42 -57.95 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.52 28.84 18.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.419 ' O ' ' NE2' ' A' ' 66' ' ' GLN . 13.2 m170 -116.83 -40.57 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.447 ' CD1' HD13 ' A' ' 21' ' ' LEU . 22.2 mt -95.28 114.52 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 64' ' ' HIS . 2.9 mp0 -130.45 -175.1 3.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 33.1 m -67.42 174.37 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 57.85 29.87 18.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -120.03 146.78 45.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 11.1 ttpt -107.56 145.83 32.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.71 145.33 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 m -124.4 -27.2 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.33 147.7 24.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.7 t -130.09 116.07 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.7 t70 63.31 28.61 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.34 10.14 68.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.9 t -108.74 120.13 59.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -68.97 91.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.473 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 8.0 pt -83.42 14.94 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -58.8 96.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.01 -10.28 31.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 4.1 m-85 -62.0 132.68 53.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.82 151.99 32.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -38.65 -50.78 1.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 86' ' ' ASP . 12.9 p-80 -69.8 -45.14 68.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.546 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 32.1 m-20 -50.94 -31.14 16.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.5 t -80.35 -38.43 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.6 t -54.27 -55.46 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 5.9 pt-20 -53.6 -34.91 60.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.409 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 59.0 t -61.59 -44.39 98.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.434 HD21 ' CD2' ' A' ' 29' ' ' LEU . 18.1 mt -60.95 -43.0 99.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -63.18 -40.13 96.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -62.38 -37.69 86.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.12 147.53 24.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.39 -153.92 30.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -52.23 -58.98 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.7 t -73.7 102.02 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 55.0 t -108.02 108.01 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -92.13 99.51 12.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -90.22 115.57 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.453 ' N ' HD12 ' A' ' 100' ' ' LEU . 12.0 m -91.44 114.25 26.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 2.1 mp -122.77 156.95 33.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 2.9 p -119.64 116.95 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -98.84 160.94 13.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -91.89 117.1 29.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.2 mttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.502 ' N ' ' CD2' ' A' ' 13' ' ' LEU . 1.4 mm? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -106.14 172.85 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -136.2 126.63 26.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -96.16 136.66 36.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 102' ' ' LEU . 27.0 p90 -139.49 143.32 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -96.01 131.15 42.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.455 HG13 ' CB ' ' A' ' 64' ' ' HIS . 2.5 t -118.75 115.1 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 11.3 tt0 -90.92 98.07 11.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.1 mt -88.28 140.43 29.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 23' ' ' ARG . 13.4 p -105.64 145.19 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.443 ' N ' HG23 ' A' ' 22' ' ' VAL . 29.7 mtm180 -111.9 100.87 9.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -47.86 175.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -56.88 95.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.48 39.93 29.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.455 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -111.47 145.59 38.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.5 m -92.88 -179.23 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 tp -74.57 -69.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.11 47.1 3.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.7 mt -128.31 118.81 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.115 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -90.95 126.98 36.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.3 pt -110.71 169.95 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -151.9 140.75 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.0 99.52 1.54 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.924 0.392 . . . . 0.0 110.885 -179.78 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.927 0.394 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.86 -172.82 21.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.7 mm -94.51 124.76 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.53 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 96.7 m-85 -129.67 147.58 51.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.1 t -70.87 94.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -58.47 -42.46 87.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 m -161.28 172.75 16.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.2 t -130.08 105.73 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.6 mp -57.55 130.22 81.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.613 0.72 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 160.05 51.18 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.332 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.14 27.84 60.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 p -121.87 162.21 21.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -43.72 -55.66 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.31 -53.49 17.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -59.71 -46.08 90.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -50.35 -60.32 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.419 ' ND2' HG12 ' A' ' 19' ' ' VAL . 11.6 t-20 -59.14 -34.33 71.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.03 34.16 88.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.455 ' CB ' HG13 ' A' ' 19' ' ' VAL . 11.7 m-70 -111.01 -39.25 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.318 . . . . 0.0 110.803 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.1 mt -93.26 107.34 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -126.7 170.37 12.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.4 m -55.27 174.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 61.11 34.61 18.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -128.13 146.49 50.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.53 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 2.4 ttpt -107.45 115.2 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.401 ' CG2' HD13 ' A' ' 79' ' ' ILE . 18.7 mt -82.88 124.11 39.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.9 m -108.98 -24.9 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.46 144.22 21.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.5 118.71 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 t70 61.25 33.97 18.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.32 23.24 63.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.0 t -120.3 113.91 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.843 0.354 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -62.26 88.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.561 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.6 pt -84.34 17.04 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -58.16 96.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.41 -18.23 20.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 5.8 m-85 -51.9 129.8 27.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -65.64 154.68 38.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 83' ' ' ALA . 13.1 t-20 -34.57 -69.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -56.58 -38.36 71.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -57.02 -29.16 63.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.0 t -84.53 -37.61 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.88 -51.95 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.141 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -53.71 -41.8 67.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.73 -43.23 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.34 -47.98 79.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -58.24 -43.36 87.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -61.18 -39.51 90.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -46.25 149.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.14 -148.64 22.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -59.31 -58.12 10.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 90.4 t -78.13 98.68 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 98.8 t -109.22 102.47 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 11.8 m80 -89.04 102.59 15.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -88.55 135.38 33.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.472 ' N ' HD12 ' A' ' 100' ' ' LEU . 26.5 m -109.76 106.22 15.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.444 ' CD1' HG21 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -117.43 158.49 24.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.6 p -141.54 109.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -107.34 152.66 23.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.7 ttt85 -65.37 125.3 24.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 13.4 mttm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.436 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.7 mm? . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.884 0.373 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.463 ' CD2' ' HA ' ' A' ' 105' ' ' ARG . 5.3 m-85 -107.51 169.27 8.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -131.95 134.83 46.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.2 m -95.9 147.41 23.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.451 ' CE1' ' HD3' ' A' ' 104' ' ' ARG . 40.9 p90 -153.28 149.8 28.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.36 130.33 47.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 102' ' ' LEU . 2.3 t -112.94 118.01 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.562 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 14.7 tt0 -94.82 93.44 7.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 65' ' ' ILE . 52.9 mt -73.66 170.05 16.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 p -132.79 134.62 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -113.15 106.65 14.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -51.8 -175.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -81.62 46.49 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 152.84 34.82 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.533 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.414 ' HG2' ' N ' ' A' ' 28' ' ' SER . 17.6 tt0 -130.75 155.5 46.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.414 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 1.8 t -110.28 178.97 4.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.6 tp -67.96 -53.95 22.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.73 50.42 24.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.425 ' CG1' ' HB3' ' A' ' 59' ' ' ALA . 78.6 mt -134.92 102.74 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.136 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.1 mmm-85 -78.67 137.58 37.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.0 pt -111.49 168.89 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 p -146.11 144.79 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.63 110.26 3.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.94 0.4 . . . . 0.0 110.896 -179.756 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 CA--C 1.526 0.036 0 CA-C-O 120.94 0.4 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 136.0 -154.91 22.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.3 mm -112.33 129.79 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 13.7 m-85 -133.89 154.87 50.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.51 117.62 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -80.53 -47.65 13.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.0 p -149.15 168.77 22.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 66' ' ' GLN . 88.7 t -134.69 78.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' VAL . 5.1 mp -37.48 130.15 0.85 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.742 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 163.96 36.33 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.366 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.94 22.29 59.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 p -116.94 166.46 12.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.83 -43.39 59.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.425 ' HB3' ' CG1' ' A' ' 31' ' ' ILE . . . -60.16 -57.07 14.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -56.77 -44.12 81.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -63.38 -45.71 89.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.41 ' ND2' ' CD2' ' A' ' 64' ' ' HIS . 13.3 t30 -57.92 -57.72 11.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.87 26.56 37.34 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.41 ' CD2' ' ND2' ' A' ' 62' ' ' ASN . 74.7 m-70 -119.89 -26.86 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.754 0.312 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.466 ' CD1' HD12 ' A' ' 21' ' ' LEU . 16.4 mt -114.56 100.24 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.459 ' HA ' ' CG2' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -129.43 176.43 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.467 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 30.7 m -50.54 178.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.467 ' CG ' ' O ' ' A' ' 67' ' ' VAL . 18.9 p30 49.06 35.16 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -124.06 139.75 53.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.556 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.0 ttpt -103.42 136.08 43.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.8 mt -106.8 139.72 27.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 m -120.67 -20.52 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.76 148.26 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.407 ' CG1' HD23 ' A' ' 91' ' ' LEU . 55.7 t -130.93 123.81 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 t0 59.81 29.68 19.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.24 22.03 61.53 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.5 t -119.77 115.33 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.373 . . . . 0.0 111.099 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -59.93 96.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.539 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 5.9 pt -91.78 17.65 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -59.73 93.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.89 -17.46 15.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.539 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 5.0 m-85 -50.92 131.62 26.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.425 ' N ' ' HB2' ' A' ' 86' ' ' ASP . . . -65.74 157.29 30.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 83' ' ' ALA . 26.0 t-20 -36.83 -65.38 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -59.17 -43.97 92.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.425 ' HB2' ' N ' ' A' ' 83' ' ' ALA . 49.5 m-20 -50.36 -32.18 16.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.2 t -84.32 -42.46 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.6 t -54.65 -43.47 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 10.4 pt-20 -63.75 -35.48 80.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.405 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 95.3 t -63.1 -43.63 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.407 HD23 ' CG1' ' A' ' 74' ' ' VAL . 44.3 mt -63.64 -44.17 94.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.964 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.7 mtp-105 -60.69 -39.66 89.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -63.35 -40.1 96.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.38 160.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.092 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.45 -158.7 12.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -43.39 -53.92 5.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.6 t -84.9 103.47 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 98.1 t -111.46 104.37 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 9.5 m80 -86.59 95.68 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 101' ' ' THR . 0.2 OUTLIER -84.74 130.26 34.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.458 ' N ' HD13 ' A' ' 100' ' ' LEU . 10.6 m -104.98 111.62 24.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -128.05 161.05 30.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.8 p -134.15 110.75 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.451 ' HD3' ' CE1' ' A' ' 17' ' ' TYR . 9.9 ptt180 -104.49 147.83 27.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.477 ' HD2' ' N ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -62.54 138.37 58.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.477 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 29.6 mttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 105' ' ' ARG . 5.8 m-85 -114.52 169.33 9.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -130.03 137.98 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 m -101.59 141.49 34.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -145.16 147.52 32.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -99.95 140.91 33.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.432 ' CG1' ' ND2' ' A' ' 62' ' ' ASN . 2.0 t -123.63 118.0 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HB2' ' NE2' ' A' ' 99' ' ' HIS . 3.4 tm-20 -92.21 100.69 13.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.7 mt -90.48 147.93 23.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -109.6 134.43 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -103.16 106.29 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -53.13 178.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -67.93 74.41 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.75 44.62 1.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -124.52 140.62 52.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 29' ' ' LEU . 1.1 t -95.25 146.09 24.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 28' ' ' SER . 11.8 tp -36.51 -54.14 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.73 47.68 7.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.478 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.4 mt -135.2 113.37 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 111.087 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 -82.08 135.34 35.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.8 pt -110.89 169.95 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 p -148.34 157.14 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.92 132.91 11.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 110.931 -179.813 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.2 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.888 0.375 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.87 -146.59 17.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.0 mm -109.31 124.12 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.887 0.375 . . . . 0.0 111.094 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.564 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 43.6 m-85 -124.84 168.24 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.0 t -87.79 98.65 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -46.41 81.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.8 m -159.31 169.36 24.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 83.3 t -127.37 109.92 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.1 mp -63.46 124.57 84.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.624 0.726 . . . . 0.0 111.164 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 147.18 62.64 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.719 2.279 . . . . 0.0 112.38 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.3 14.65 81.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.1 p -110.69 176.09 5.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.73 -42.61 79.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.78 -55.84 22.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -62.27 -33.58 74.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -68.29 -36.64 79.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.432 ' ND2' ' CG1' ' A' ' 19' ' ' VAL . 36.5 t30 -68.03 -68.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.31 18.16 12.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.461 ' C ' ' NE2' ' A' ' 66' ' ' GLN . 10.6 m170 -110.23 -39.67 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.1 mt -94.2 117.44 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.461 ' NE2' ' C ' ' A' ' 64' ' ' HIS . 7.5 mp0 -138.34 173.88 11.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.31 168.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 63.94 30.06 14.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -120.52 138.49 53.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.564 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -100.79 123.08 44.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 75.1 mt -88.57 140.32 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 m -120.2 -33.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.54 150.14 32.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.7 t -134.68 110.25 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 t70 67.84 29.4 6.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.31 0.47 84.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.2 t -97.41 113.94 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -66.28 101.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 81' ' ' GLY . 6.1 pt -95.69 13.38 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -60.18 76.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 128.89 15.76 2.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -88.99 146.68 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.56 ' HB2' ' CE1' ' A' ' 85' ' ' HIS . . . -76.91 146.66 37.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 83' ' ' ALA . 8.1 m120 -35.25 -47.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 83' ' ' ALA . 7.0 p-80 -69.15 -44.17 72.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' ALA . 27.9 m-20 -58.32 -26.83 63.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.4 t -84.07 -32.7 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 83.8 t -60.89 -47.89 91.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -61.4 -33.51 73.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.28 -44.97 99.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.6 -44.38 94.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -62.94 -42.48 99.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -63.3 -31.11 72.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.24 145.55 42.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.05 -157.29 33.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.539 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -52.88 -61.53 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.925 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.01 99.18 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 98.6 t -107.05 113.82 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 20' ' ' GLU . 6.6 m80 -96.82 96.79 8.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.461 HD13 ' N ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -85.32 126.4 33.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.461 ' N ' HD13 ' A' ' 100' ' ' LEU . 2.8 m -100.79 115.67 30.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.41 ' CD1' ' N ' ' A' ' 102' ' ' LEU . 0.8 OUTLIER -125.73 155.4 41.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.8 p -127.7 112.78 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -107.46 143.8 35.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.53 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 2.1 tmt_? -66.27 137.55 57.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.893 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.423 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 3.8 mm? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.83 0.348 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.538 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 4.3 m-85 -107.11 174.88 5.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -128.17 117.97 22.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.1 m -93.39 135.08 34.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -146.39 151.51 37.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.48 129.79 53.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.426 HG23 ' CD1' ' A' ' 102' ' ' LEU . 2.1 t -110.07 113.84 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 9.8 tt0 -90.78 92.26 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.454 HD11 ' CD1' ' A' ' 65' ' ' ILE . 66.7 mt -81.21 151.81 27.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -114.8 133.2 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.6 mtm180 -100.76 102.05 13.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 26' ' ' GLY . 32.9 mttm -59.56 170.9 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 25' ' ' ASP . 14.3 p-10 -51.51 86.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 105.36 -35.79 4.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -51.99 129.49 27.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.5 p -96.09 171.21 8.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.1 tp -53.42 -54.64 34.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.68 50.05 9.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.436 ' CG1' ' HB1' ' A' ' 59' ' ' ALA . 77.3 mt -134.86 120.54 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 111.138 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.4 mmt-85 -94.95 128.52 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.6 pt -108.35 170.02 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 p -147.95 148.54 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.8 106.6 2.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 120.94 0.4 . . . . 0.0 110.924 -179.816 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.889 0.376 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.2 -174.84 31.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 49' ' ' TYR . 11.7 mm -85.97 137.95 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 111.112 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.518 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 61.4 m-85 -143.9 149.02 36.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 65.1 t -73.55 99.42 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -61.37 -41.84 97.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -161.96 176.33 10.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.3 t -142.1 111.33 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.412 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 4.6 mp -59.73 137.19 90.01 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HD2' ' CG2' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.75 162.81 40.62 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.67 2.247 . . . . 0.0 112.356 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 52.23 20.36 6.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.0 p -104.91 165.41 11.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.809 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.41 -49.29 35.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.436 ' HB1' ' CG1' ' A' ' 31' ' ' ILE . . . -58.43 -55.98 28.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -53.16 -61.79 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -45.43 -54.24 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -45.7 -61.12 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.73 19.93 49.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -108.39 -36.17 6.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.748 0.308 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.454 ' CD1' HD11 ' A' ' 21' ' ' LEU . 21.9 mt -99.15 117.79 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -128.53 169.51 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.1 m -65.51 176.14 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 60.61 32.04 20.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -120.13 161.72 20.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -120.29 122.26 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.43 ' N ' ' HD2' ' A' ' 70' ' ' LYS . 22.3 mt -90.96 134.99 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.36 -24.47 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.88 140.66 18.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.7 t -122.37 123.02 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.152 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t0 59.81 29.34 18.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.16 19.47 62.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.539 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 82.2 t -118.32 116.29 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -60.83 94.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.544 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 7.0 pt -89.43 14.31 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -56.43 92.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.54 -22.58 10.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.544 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 4.5 m-85 -47.44 130.16 13.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -63.04 152.75 36.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 83' ' ' ALA . 10.6 t-20 -34.5 -66.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.431 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 51.7 p-80 -57.28 -47.99 80.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 23.5 m-20 -47.49 -27.46 1.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 71.0 t -86.52 -32.15 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.29 -50.38 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.36 -38.35 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.12 -48.62 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.6 -42.05 87.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 71.0 mtp85 -63.43 -38.44 91.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -64.56 -38.61 91.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.33 145.69 31.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.67 -159.13 28.73 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -41.48 -53.85 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.1 t -79.35 107.14 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 71.9 t -114.71 101.65 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.491 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 9.1 m80 -86.16 94.64 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.432 HD11 ' C ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -85.72 119.15 25.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.3 m -94.78 114.55 26.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.431 HD13 ' CD1' ' A' ' 100' ' ' LEU . 4.2 mp -119.06 168.24 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.3 p -151.51 111.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -111.08 147.25 35.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.538 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 2.5 ttm-85 -65.64 124.17 21.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 11.4 mttm . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.444 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 21.1 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.8 0.333 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -105.96 150.18 25.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -121.16 144.18 48.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.4 m -105.52 150.02 25.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -149.54 153.42 37.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -99.29 131.35 45.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.469 HG11 ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -115.6 112.29 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -92.47 89.96 6.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.445 ' CD1' HD13 ' A' ' 31' ' ' ILE . 39.1 mt -80.54 142.59 34.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 p -106.38 134.88 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -112.49 112.0 23.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -52.77 -178.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.3 85.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.73 38.37 3.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.47 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -119.04 129.47 55.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.918 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.7 m -77.76 154.88 31.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.3 tp -47.51 -66.87 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.458 ' HA3' ' CB ' ' A' ' 57' ' ' SER . . . 93.96 50.57 2.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.445 HD13 ' CD1' ' A' ' 21' ' ' LEU . 76.5 mt -137.3 105.46 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 111.159 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -77.42 134.07 38.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.9 pt -117.35 166.14 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.5 p -143.33 150.44 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.63 100.33 1.78 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.96 0.41 . . . . 0.0 110.935 -179.819 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.926 0.393 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.31 -177.05 30.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.8 mm -89.94 127.26 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.547 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 84.9 m-85 -126.45 158.1 36.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.7 t -78.19 98.38 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.161 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -61.9 -38.06 86.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -162.26 173.25 14.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.5 t -133.46 89.01 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.2 mp -44.81 129.28 5.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.617 0.723 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 163.45 38.25 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.12 22.12 41.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.458 ' CB ' ' HA3' ' A' ' 30' ' ' GLY . 8.0 p -112.51 162.36 15.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.829 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.67 -39.98 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.79 -56.9 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -56.19 -48.96 75.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -48.4 -55.98 9.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.469 ' ND2' HG11 ' A' ' 19' ' ' VAL . 24.9 t30 -50.59 -63.46 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.55 22.47 21.46 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -110.51 -38.71 5.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.7 0.286 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.416 HG21 ' CD2' ' A' ' 102' ' ' LEU . 37.7 mt -95.4 121.89 46.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -142.07 178.87 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.1 m -63.48 169.21 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 68.44 30.76 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.77 158.67 34.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.547 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 1.4 ttpp -118.53 113.27 21.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.4 mp -83.19 119.82 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.417 ' CG2' HG23 ' A' ' 101' ' ' THR . 3.7 m -100.94 -24.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.82 137.25 15.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.0 t -119.21 121.71 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 99' ' ' HIS . 7.5 t70 59.37 31.58 21.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.99 17.64 69.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.4 t -113.19 112.7 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -64.02 96.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' GLY . 8.2 pt -88.93 13.04 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -62.69 77.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 140.31 -3.76 2.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.519 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -77.12 -174.81 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.364 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.0 171.09 9.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -47.69 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -56.15 -45.74 79.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.78 -31.21 66.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.9 t -81.76 -32.97 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.07 -46.6 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 4.7 pt-20 -61.52 -31.98 72.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.458 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 73.0 t -63.84 -41.66 93.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.41 -45.54 79.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.7 mtt-85 -59.94 -44.04 94.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -59.79 -35.2 74.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.25 145.03 27.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.99 -158.91 33.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -48.15 -62.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 97.6 t -72.66 99.22 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 85.8 t -107.68 103.55 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' ASP . 8.5 m80 -89.76 107.9 19.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.4 tp -93.04 156.34 16.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.417 HG23 ' CG2' ' A' ' 72' ' ' VAL . 2.9 m -127.95 98.8 5.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.466 ' CD1' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -117.72 148.28 42.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.6 p -128.05 108.71 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -108.42 167.58 9.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -71.54 120.34 16.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.444 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 9.2 mttm . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.827 0.346 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 2.1 m-85 -104.96 173.59 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -135.97 123.59 22.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 m -86.21 143.87 27.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -152.16 146.27 25.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.45 132.26 37.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.444 HG11 ' ND2' ' A' ' 62' ' ' ASN . 2.2 t -113.02 109.42 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.481 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 16.5 tt0 -84.26 107.62 16.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 65' ' ' ILE . 41.2 mt -97.87 143.83 28.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.1 p -105.74 135.24 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -106.27 107.69 18.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -50.42 177.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -70.4 81.96 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.13 41.01 2.51 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -124.11 155.27 38.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.879 0.371 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.2 m -106.85 177.69 4.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.1 tp -66.44 -69.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.11 32.9 8.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.443 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.434 ' CG1' ' HB1' ' A' ' 59' ' ' ALA . 75.7 mt -117.84 112.43 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.349 . . . . 0.0 111.098 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -80.93 133.25 35.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.0 pt -113.49 165.39 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.176 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -147.64 143.67 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.6 82.38 0.55 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.943 0.401 . . . . 0.0 110.918 -179.79 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.895 0.379 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.27 -175.63 22.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.5 mm -85.85 127.93 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 72.5 m-85 -133.54 157.86 44.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.8 t -79.73 102.92 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -67.81 -39.75 83.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.9 m -161.41 168.54 23.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.7 t -132.18 93.91 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.5 mp -43.01 131.32 3.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 160.05 51.16 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.666 2.244 . . . . 0.0 112.384 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.83 28.19 52.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.3 p -115.21 170.39 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.826 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.82 -47.51 73.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.434 ' HB1' ' CG1' ' A' ' 31' ' ' ILE . . . -58.33 -54.24 49.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -57.62 -45.3 85.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -52.83 -58.52 6.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.444 ' ND2' HG11 ' A' ' 19' ' ' VAL . 21.8 t30 -46.89 -59.8 2.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.32 27.77 12.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.451 ' C ' ' NE2' ' A' ' 66' ' ' GLN . 13.2 m-70 -118.37 -39.49 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 21' ' ' LEU . 18.5 mt -91.91 115.09 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.451 ' NE2' ' C ' ' A' ' 64' ' ' HIS . 5.8 mp0 -140.93 174.97 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.9 m -59.21 165.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 67.52 30.85 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -121.74 155.03 36.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 7.9 ttpt -118.39 122.25 42.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.451 HG13 ' CD2' ' A' ' 102' ' ' LEU . 4.9 mp -87.63 132.09 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.443 ' CG2' HG23 ' A' ' 101' ' ' THR . 4.0 m -111.67 -25.71 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -163.8 138.62 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.471 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 83.8 t -111.34 121.7 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.471 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 1.3 p30 53.59 25.23 4.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.56 -20.48 41.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.38 119.13 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.342 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -71.97 94.94 1.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.435 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.5 pt -88.43 13.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -55.13 91.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.42 -24.59 11.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.435 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.5 m-85 -41.85 141.98 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -73.95 156.2 37.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 83' ' ' ALA . 12.0 t-20 -36.49 -58.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -65.21 -44.15 89.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -51.54 -28.37 13.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.2 t -86.57 -38.79 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 90.5 t -57.24 -45.56 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -62.78 -38.71 91.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.7 t -59.59 -42.4 88.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.36 -46.46 88.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -57.9 -40.96 81.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -62.08 -40.83 97.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.32 148.99 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -109.75 -152.63 14.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -47.5 -62.01 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.361 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.1 t -75.25 104.2 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 85.8 t -120.57 105.72 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.481 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 18.6 m80 -92.73 97.49 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.466 ' CD1' HD22 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -82.8 110.42 17.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.443 HG23 ' CG2' ' A' ' 72' ' ' VAL . 18.3 m -81.55 103.56 11.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -120.48 158.0 28.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.432 HG23 ' CB ' ' A' ' 14' ' ' PHE . 3.1 p -136.11 113.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 1.7 ptm85 -105.87 154.83 20.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.573 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 2.3 ttm180 -70.37 118.77 13.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.5 mttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.913 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.421 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 8.1 mp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -105.83 159.27 16.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -122.05 129.21 52.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.6 m -95.57 141.51 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -150.56 150.07 30.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.88 135.71 46.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.8 t -118.3 113.86 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.497 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 16.0 tt0 -84.63 91.51 7.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.443 ' CD1' HD13 ' A' ' 65' ' ' ILE . 84.4 mt -79.33 139.83 37.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 23' ' ' ARG . 11.0 p -105.26 142.57 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.183 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.416 ' N ' HG23 ' A' ' 22' ' ' VAL . 29.0 mtm180 -107.42 106.22 16.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -49.0 178.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -64.98 90.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.92 45.95 5.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.532 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.435 ' HG2' ' N ' ' A' ' 28' ' ' SER . 39.4 tt0 -123.46 151.7 42.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 110.917 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.435 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 74.5 m -99.49 158.15 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.4 tp -50.66 -68.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.403 ' C ' HD11 ' A' ' 54' ' ' ILE . . . 91.74 49.18 3.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.438 HD12 ' CD1' ' A' ' 21' ' ' LEU . 67.1 mt -135.25 114.61 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -90.34 135.57 33.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.1 pt -112.03 163.73 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 p -147.55 140.97 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.569 ' N ' HD22 ' A' ' 84' ' ' ASN . . . -91.66 103.06 3.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.934 0.397 . . . . 0.0 110.891 -179.788 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.4 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.931 0.396 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.94 -169.5 24.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.2 mm -96.24 126.92 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 111.153 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.556 ' CE1' ' HG2' ' A' ' 70' ' ' LYS . 9.8 m-85 -128.25 156.03 43.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.0 t -74.57 111.37 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -74.07 -40.74 62.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 m -164.41 170.12 16.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.13 104.55 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.403 HD11 ' C ' ' A' ' 30' ' ' GLY . 4.6 mp -52.31 129.88 42.31 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.64 0.733 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 155.51 65.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 59.56 29.87 67.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 p -115.88 179.46 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.51 64.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.81 -44.14 81.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -65.25 -50.41 65.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -50.79 -50.53 55.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.404 ' ND2' HD22 ' A' ' 21' ' ' LEU . 35.6 t30 -51.69 -61.65 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.55 26.46 17.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.543 ' C ' ' NE2' ' A' ' 66' ' ' GLN . 12.5 m170 -114.85 -34.69 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.443 HD13 ' CD1' ' A' ' 21' ' ' LEU . 45.9 mt -98.22 122.2 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.543 ' NE2' ' C ' ' A' ' 64' ' ' HIS . 7.1 mp0 -138.22 173.81 11.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.16 172.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 62.2 41.35 10.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -130.55 163.79 26.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.556 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -124.46 123.45 40.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.1 mp -87.8 132.76 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 m -116.2 -24.32 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.85 145.49 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.8 t -129.88 119.19 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 60.34 30.44 19.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.06 20.12 59.81 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.2 t -119.27 112.76 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -62.16 90.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.42 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 7.5 pt -84.36 13.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -55.43 96.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.32 -21.99 14.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.42 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.7 m-85 -48.72 132.25 17.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.864 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -62.72 150.09 42.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.104 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.569 HD22 ' N ' ' A' ' 35' ' ' GLY . 6.0 m120 -38.05 -55.11 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -66.19 -40.27 90.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -56.49 -33.76 66.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.5 t -77.49 -37.2 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.5 t -53.5 -50.49 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 90' ' ' VAL . 5.9 pt-20 -55.08 -43.85 74.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.428 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 89.8 t -57.64 -34.35 47.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.2 mt -71.99 -44.27 63.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 93' ' ' ASN . 11.4 ptt180 -66.89 -43.64 82.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.435 ' N ' ' HG2' ' A' ' 92' ' ' ARG . 24.8 m-80 -66.7 -21.11 66.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.47 148.52 48.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.11 -160.75 29.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -50.89 -63.07 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.405 ' CG1' ' HG3' ' A' ' 20' ' ' GLU . 98.4 t -70.92 97.49 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 94.2 t -107.81 105.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.497 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 17.5 m80 -87.63 94.71 9.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.448 ' CD1' HD11 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -83.6 118.21 23.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.425 ' N ' HD13 ' A' ' 100' ' ' LEU . 5.2 m -94.24 118.34 31.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 100' ' ' LEU . 1.4 mp -127.05 153.42 45.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.7 p -129.97 106.69 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -100.02 155.83 17.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -74.4 127.53 33.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 29.5 mttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.42 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 7.7 mp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.882 0.373 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.467 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 15.6 m-85 -98.85 165.49 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -136.21 130.36 33.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.4 m -95.58 149.0 21.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -150.24 145.12 26.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -97.01 132.73 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 102' ' ' LEU . 2.5 t -119.91 117.27 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.518 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 12.2 tt0 -98.31 93.36 6.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.469 HD23 ' ND2' ' A' ' 62' ' ' ASN . 21.7 mt -79.64 162.75 25.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 p -121.65 142.91 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -115.28 102.43 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 26' ' ' GLY . 23.6 mmmt -56.53 171.03 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -58.98 84.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 115.28 -40.39 2.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -45.33 160.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.1 m -125.61 177.45 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.456 ' CD2' HD21 ' A' ' 91' ' ' LEU . 10.0 tp -62.54 -69.34 0.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.79 53.46 3.99 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.438 ' CG1' ' HB3' ' A' ' 59' ' ' ALA . 79.3 mt -134.0 94.02 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 111.152 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -65.82 128.11 34.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.1 pt -106.38 157.3 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 p -128.34 146.55 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.69 122.97 7.76 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.951 0.405 . . . . 0.0 110.913 -179.787 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.43 -162.79 28.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.0 mm -96.92 118.92 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 41.8 m-85 -122.13 162.13 21.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.7 t -79.81 114.13 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -43.25 48.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.1 177.3 11.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' A' ' 66' ' ' GLN . 88.6 t -134.15 92.83 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.134 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.439 ' H ' ' CD1' ' A' ' 54' ' ' ILE . 3.9 mp -48.1 134.76 11.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.549 0.69 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 159.58 52.93 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.715 2.277 . . . . 0.0 112.341 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.23 30.44 64.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.2 p -117.86 170.26 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.85 -45.54 86.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.438 ' HB3' ' CG1' ' A' ' 31' ' ' ILE . . . -59.44 -49.83 76.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -57.89 -38.06 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -71.59 -49.59 38.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.469 ' ND2' HD23 ' A' ' 21' ' ' LEU . 22.1 t30 -51.5 -59.96 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.03 28.05 26.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -121.98 -27.82 4.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.454 ' CD1' HD11 ' A' ' 21' ' ' LEU . 11.5 mt -111.33 120.49 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.452 ' HA ' ' CG2' ' A' ' 53' ' ' VAL . 0.4 OUTLIER -157.02 170.33 22.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.3 m -40.13 161.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 65.18 39.71 5.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -140.77 130.26 23.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 4.3 ttpp -96.44 131.06 43.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.2 mp -104.65 124.04 59.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.436 ' CG2' HG21 ' A' ' 101' ' ' THR . 14.0 m -100.17 -26.25 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.66 148.24 28.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.3 119.88 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.8 t70 59.45 36.71 23.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.91 23.04 70.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.3 t -120.21 119.72 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.091 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -67.39 97.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.426 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 6.5 pt -97.96 18.73 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -44.47 -71.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -91.95 42.18 2.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.426 ' CG ' ' HA ' ' A' ' 79' ' ' ILE . 3.1 m-85 -99.19 145.49 27.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -83.7 151.06 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.063 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' ALA . 5.4 t-20 -34.37 -63.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -54.86 -46.82 74.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -53.63 -34.17 57.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.2 t -77.75 -35.31 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.6 t -57.79 -54.26 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 14.4 pt-20 -55.34 -41.03 71.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.444 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 72.5 t -53.69 -41.8 48.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.456 HD21 ' CD2' ' A' ' 29' ' ' LEU . 17.9 mt -65.63 -46.17 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -58.42 -43.27 88.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -61.43 -40.37 94.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.09 154.61 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.07 -153.51 12.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -50.17 -61.0 2.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.37 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.1 t -75.31 102.41 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.2 t -110.51 107.33 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 8.3 m80 -92.74 104.12 16.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.472 HD11 ' N ' ' A' ' 101' ' ' THR . 0.2 OUTLIER -93.96 136.7 33.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.472 ' N ' HD11 ' A' ' 100' ' ' LEU . 10.7 m -111.22 104.2 12.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -118.61 161.53 19.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 3.7 p -138.71 116.46 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -104.82 152.04 23.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -74.51 123.11 24.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 24.1 mttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.903 0.383 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.549 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 33.7 m-85 -101.21 147.47 26.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -122.7 147.01 46.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.4 m -109.22 144.69 36.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -144.18 146.89 33.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -98.43 127.78 44.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 102' ' ' LEU . 2.6 t -114.17 113.66 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 2.0 tm-20 -92.46 101.57 14.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.5 mt -89.98 139.71 30.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.9 p -98.94 137.0 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -119.36 105.29 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -56.83 179.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.03 101.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.877 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' GLN . . . 96.51 -43.71 2.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLY . 42.3 tt0 -36.63 143.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.946 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.6 m -107.36 157.68 17.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.6 tp -42.49 -65.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.86 55.45 2.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.5 mt -141.46 119.75 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 mmm-85 -90.25 132.34 35.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 pt -112.18 170.03 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -155.07 140.3 10.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.11 84.33 1.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.532 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.984 0.421 . . . . 0.0 110.873 -179.768 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 t . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.928 0.394 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.03 -170.85 29.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.42 133.74 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.119 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.506 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 54.7 m-85 -139.66 147.86 41.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.5 t -68.4 104.58 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -67.99 -44.91 75.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -158.28 169.76 23.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.3 t -125.9 106.19 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.0 mp -53.41 129.31 52.18 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 0.0 111.175 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 154.8 67.17 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.77 22.8 54.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.445 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 p -110.48 168.57 9.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.815 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.19 -50.11 30.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.64 -58.06 9.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -47.27 -59.27 3.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -44.77 -59.82 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -50.96 -41.46 59.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.93 35.75 91.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.45 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -115.09 -36.96 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.3 mt -97.06 102.97 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -104.82 -174.49 2.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.7 m -82.22 171.39 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 66.94 36.04 4.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -121.06 166.14 14.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.506 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.9 ttpt -121.22 122.23 39.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.424 ' CG2' HD12 ' A' ' 100' ' ' LEU . 16.6 mt -97.05 124.56 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.7 m -103.33 -22.2 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.15 145.41 19.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.9 t -127.74 121.91 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 55.6 38.41 30.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.25 24.14 71.95 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.6 t -118.0 108.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 111.131 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -60.86 95.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.475 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.9 pt -95.89 18.09 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.07 75.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 123.29 19.72 2.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.461 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 2.9 m-85 -83.02 158.35 22.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.379 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' ASP . . . -81.41 142.0 33.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' ALA . 22.6 t-20 -34.46 -57.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -65.16 -36.23 83.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 83' ' ' ALA . 6.4 m-20 -60.6 -30.02 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.5 t -79.97 -31.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.9 t -61.83 -52.1 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -58.04 -40.8 81.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 72.7 t -53.63 -42.67 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.01 -46.31 81.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -59.54 -43.65 93.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -59.96 -38.48 82.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.43 145.91 13.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.95 -157.28 33.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -50.92 -60.27 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.832 0.348 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.413 HG13 ' CG ' ' A' ' 20' ' ' GLU . 96.4 t -74.74 100.02 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 89.2 t -106.15 101.99 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 5.7 m80 -85.09 101.29 12.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.452 HD13 ' N ' ' A' ' 101' ' ' THR . 0.2 OUTLIER -88.84 128.3 35.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.452 ' N ' HD13 ' A' ' 100' ' ' LEU . 5.8 m -101.71 107.63 18.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.44 ' CD1' HG21 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -120.53 156.58 31.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.0 OUTLIER -134.4 111.94 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -109.89 158.47 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.549 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 1.6 ttt180 -69.98 123.2 20.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.852 0.358 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 6.8 m-85 -112.75 162.31 15.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -125.96 128.65 47.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.41 HG21 ' N ' ' A' ' 17' ' ' TYR . 59.6 m -97.14 142.85 28.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.185 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.41 ' N ' HG21 ' A' ' 16' ' ' THR . 23.2 p90 -140.97 145.08 35.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.956 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -95.57 131.3 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.436 ' CG1' ' ND2' ' A' ' 62' ' ' ASN . 2.8 t -119.39 115.82 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.498 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 7.1 tt0 -93.52 104.27 16.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.434 HD11 ' CD1' ' A' ' 65' ' ' ILE . 69.8 mt -89.82 152.15 21.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.02 134.4 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -105.44 102.65 12.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -53.03 177.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.1 75.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.26 -43.74 1.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -51.13 142.69 12.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.799 0.333 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.1 m -108.09 170.81 7.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -50.4 -67.63 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.413 ' C ' HD13 ' A' ' 54' ' ' ILE . . . 80.62 54.72 3.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.446 ' CD1' ' HB1' ' A' ' 59' ' ' ALA . 38.5 mt -133.84 115.0 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 111.106 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.423 ' NH1' HD11 ' A' ' 54' ' ' ILE . 15.1 mmp_? -83.95 143.57 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.7 pt -126.35 169.97 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -152.77 147.45 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' N ' HD22 ' A' ' 84' ' ' ASN . . . -97.58 104.29 2.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.901 0.381 . . . . 0.0 110.922 -179.81 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.93 0.395 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.14 -131.87 3.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.4 mm -123.35 123.71 68.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.554 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 69.3 m-85 -126.55 147.59 49.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 66.7 t -67.01 109.58 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -73.87 -38.66 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 m -164.59 167.36 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.442 ' CG2' ' HA ' ' A' ' 66' ' ' GLN . 96.9 t -133.78 112.26 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.161 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.423 HD11 ' NH1' ' A' ' 32' ' ' ARG . 5.3 mp -58.72 127.06 82.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.706 . . . . 0.0 111.182 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 152.95 69.62 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.58 24.42 75.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.3 p -114.85 -176.06 2.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.3 -50.76 62.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.446 ' HB1' ' CD1' ' A' ' 31' ' ' ILE . . . -60.6 -51.54 68.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -57.92 -44.93 87.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -60.19 -46.71 88.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.436 ' ND2' ' CG1' ' A' ' 19' ' ' VAL . 24.3 t30 -54.92 -57.15 12.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.59 31.27 22.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -122.1 -29.78 4.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.434 ' CD1' HD11 ' A' ' 21' ' ' LEU . 11.6 mt -114.72 109.08 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.442 ' HA ' ' CG2' ' A' ' 53' ' ' VAL . 0.7 OUTLIER -145.09 -178.32 5.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.2 m -48.71 162.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 64.68 38.16 7.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -132.93 146.95 52.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.554 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 2.9 ttpt -115.09 119.72 37.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.424 ' CG1' HD12 ' A' ' 100' ' ' LEU . 5.3 mp -92.53 126.16 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.165 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.403 ' CG2' HG23 ' A' ' 101' ' ' THR . 2.6 m -103.42 -26.9 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -155.94 139.89 16.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.464 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 95.2 t -110.87 116.55 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.464 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 1.5 p30 52.8 27.41 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.69 -22.48 32.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.5 t -73.58 108.43 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -66.12 87.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.7 pt -85.33 26.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -74.8 51.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 153.55 31.71 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -104.53 160.84 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -82.47 143.98 30.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.479 HD22 ' N ' ' A' ' 35' ' ' GLY . 5.1 m120 -33.73 -61.63 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -61.85 -39.91 93.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 83' ' ' ALA . 70.5 m-20 -57.25 -31.68 65.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.4 t -78.77 -31.09 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.7 t -60.42 -49.95 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 6.9 pt-20 -59.38 -34.31 72.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.444 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 92.0 t -59.48 -43.51 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.2 mt -64.28 -47.03 81.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 46.5 mtp85 -61.0 -40.93 95.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -62.01 -37.45 84.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.78 148.03 13.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.05 -155.05 30.78 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -54.09 -60.99 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 70.0 t -71.9 99.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.48 105.8 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.498 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 14.3 m80 -91.75 96.41 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.466 HD11 ' N ' ' A' ' 101' ' ' THR . 0.2 OUTLIER -79.64 131.94 36.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.466 ' N ' HD11 ' A' ' 100' ' ' LEU . 2.6 m -105.79 102.98 12.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.43 161.44 19.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.449 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.1 p -137.62 121.22 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -109.58 155.58 21.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.572 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 3.4 ttm180 -75.46 127.18 32.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 14' ' ' PHE . 3.5 mtpm? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.435 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 14.5 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.473 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 22.7 m-85 -108.25 152.21 24.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -125.62 138.7 53.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.4 m -100.53 146.23 27.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -150.14 153.68 36.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -103.38 131.66 50.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.465 HG23 ' CD1' ' A' ' 102' ' ' LEU . 1.8 t -116.38 113.39 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.475 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 22.8 tt0 -86.08 112.01 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.438 HD13 ' CD1' ' A' ' 65' ' ' ILE . 85.4 mt -94.99 149.76 20.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.438 ' O ' ' CG1' ' A' ' 22' ' ' VAL . 4.2 p -110.38 122.97 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -92.46 92.47 8.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -54.1 163.11 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -41.53 97.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.0 44.36 61.6 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.425 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -103.33 135.16 45.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.3 m -96.85 138.06 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.9 tp -39.29 -68.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.405 ' C ' HD12 ' A' ' 54' ' ' ILE . . . 82.09 50.79 4.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.4 mt -129.02 108.16 16.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.855 0.359 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -81.02 124.82 29.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.8 pt -106.84 170.06 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -148.79 147.09 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.41 96.94 1.4 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.931 0.396 . . . . 0.0 110.898 -179.75 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.7 p . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 145.76 -173.24 26.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.3 mm -92.94 122.59 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.541 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 3.1 m-85 -131.03 156.25 45.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.73 112.78 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -78.08 -38.29 44.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 m -163.59 169.29 18.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.1 t -136.52 119.86 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.405 HD12 ' C ' ' A' ' 30' ' ' GLY . 4.6 mp -69.65 129.34 91.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.739 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 139.99 41.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.82 17.93 64.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 p -109.36 174.23 5.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.68 84.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.84 -44.57 96.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -65.87 -46.82 76.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -53.98 -44.37 70.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -56.52 -75.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.78 16.64 11.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -114.8 -25.72 8.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.438 ' CD1' HD13 ' A' ' 21' ' ' LEU . 13.9 mt -110.53 110.93 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -151.88 -178.74 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.3 m -51.45 162.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 66.76 35.96 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.53 136.85 39.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.541 ' CG ' ' CZ ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -102.99 131.0 50.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.1 mp -100.24 133.86 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.7 m -111.02 -31.64 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.37 139.63 18.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.463 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 87.5 t -110.67 120.67 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.463 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 1.5 p30 52.8 27.82 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.18 -21.07 42.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.5 t -74.76 119.87 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 111.128 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -72.9 95.84 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.516 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.6 pt -89.76 15.94 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -59.29 90.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.94 -19.7 15.27 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.516 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.9 m-85 -48.57 141.4 7.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.528 ' HB2' ' CE1' ' A' ' 85' ' ' HIS . . . -69.94 156.87 38.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -42.75 -49.9 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.528 ' CE1' ' HB2' ' A' ' 83' ' ' ALA . 18.4 p-80 -70.98 -44.74 65.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -52.31 -25.2 8.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 83.9 t -85.94 -35.54 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 79.0 t -58.89 -50.4 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -57.22 -42.45 81.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 80.5 t -52.98 -48.69 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.6 mt -58.04 -44.01 87.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.5 mtt-85 -62.07 -37.83 86.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -64.73 -39.08 93.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.21 158.84 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.47 -147.26 9.79 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -57.49 -56.35 22.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.8 t -81.18 104.71 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 94.5 t -119.82 109.15 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.475 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 20.9 m80 -94.5 99.45 11.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.409 ' CD1' ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -81.57 126.87 32.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.7 m -101.67 105.65 16.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.465 ' CD1' HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -119.52 164.38 15.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.5 p -138.4 114.22 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -110.8 159.58 17.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -74.34 117.67 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.435 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 24.1 mttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.846 0.355 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.437 ' CB ' ' CG2' ' A' ' 103' ' ' VAL . 14.4 m-85 -108.17 158.38 17.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -118.26 126.15 51.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.9 m -95.4 145.12 25.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -154.61 146.05 23.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.5 135.59 38.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.434 HG23 ' CD1' ' A' ' 102' ' ' LEU . 2.0 t -118.11 116.76 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.536 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 35.7 tt0 -92.32 89.81 6.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 65' ' ' ILE . 92.4 mt -72.84 142.95 47.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.6 p -108.7 135.69 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.107 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -105.25 113.13 26.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -57.65 179.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.33 79.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.13 40.92 2.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -120.21 162.37 19.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.1 m -114.98 170.88 8.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.809 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.9 tp -62.12 -66.29 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.435 ' HA3' ' CB ' ' A' ' 57' ' ' SER . . . 84.94 51.42 3.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.4 mt -131.53 113.86 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -86.92 125.97 34.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 pt -109.74 168.23 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 p -148.89 142.37 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.48 94.28 1.37 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.413 . . . . 0.0 110.888 -179.783 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.0 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.928 0.394 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.67 -130.99 3.11 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.5 mm -117.4 124.49 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.448 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 58.8 m-85 -130.34 145.92 51.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.7 t -69.33 94.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -57.87 -43.25 85.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -162.83 173.33 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.0 t -143.59 111.09 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.1 mp -52.65 124.5 34.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.678 0.752 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.595 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 53.9 Cg_endo -69.74 3.57 2.68 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -127.16 37.79 2.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.435 ' CB ' ' HA3' ' A' ' 30' ' ' GLY . 65.1 p -137.16 165.25 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.835 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 61' ' ' HIS . . . -49.51 -56.67 9.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.83 -33.65 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 55' ' ' PRO . 38.0 t80 -78.51 -36.82 44.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 58' ' ' ALA . 58.2 m-70 -69.12 -41.0 77.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.475 ' ND2' ' CD2' ' A' ' 64' ' ' HIS . 8.8 t30 -58.15 -48.34 80.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.87 35.72 34.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.475 ' CD2' ' ND2' ' A' ' 62' ' ' ASN . 76.2 m-70 -122.81 -39.02 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 21' ' ' LEU . 22.0 mt -98.9 118.16 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -143.22 167.87 21.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.4 m -48.68 169.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 62.21 35.9 15.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -136.11 131.63 35.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -95.97 135.4 37.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.6 mt -94.96 122.42 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.2 m -102.44 -26.9 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.37 145.32 20.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.8 t -127.9 117.77 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.32 40.52 31.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.54 29.19 60.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.8 t -123.25 107.01 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 111.138 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -63.86 92.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 81' ' ' GLY . 7.3 pt -87.67 9.72 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -55.02 84.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 116.31 19.81 5.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -87.09 164.93 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.927 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.8 154.97 21.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -45.29 -49.05 12.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -71.45 -45.74 61.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -50.14 -29.31 8.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.5 t -82.44 -40.38 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.6 t -55.87 -49.58 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -61.58 -40.27 94.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 78.1 t -54.51 -43.09 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 mt -66.75 -44.16 82.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -61.24 -43.44 98.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -59.83 -38.15 81.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.87 142.83 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.53 -158.48 34.65 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.449 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -47.75 -59.39 3.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.439 ' CG1' ' HG3' ' A' ' 20' ' ' GLU . 94.5 t -75.27 98.9 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 62.3 t -105.88 105.56 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 7.2 m170 -90.51 94.04 9.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.889 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 101' ' ' THR . 0.2 OUTLIER -86.12 128.51 34.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.43 ' N ' HD12 ' A' ' 100' ' ' LEU . 9.1 m -103.56 111.43 23.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.434 ' CD1' HG23 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -124.44 157.86 34.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.437 ' CG2' ' CB ' ' A' ' 14' ' ' PHE . 1.2 p -134.9 113.3 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -111.95 156.87 21.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 -65.76 131.65 46.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.41 ' O ' ' CD ' ' A' ' 106' ' ' LYS . 5.1 mp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.797 0.332 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.463 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 31.5 m-85 -101.28 145.62 28.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -118.06 140.37 49.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -102.93 137.33 41.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -137.42 147.05 45.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -97.7 132.87 42.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.429 ' CG1' ' ND2' ' A' ' 62' ' ' ASN . 2.9 t -119.62 113.81 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 14.4 tt0 -88.29 110.02 20.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.425 HD12 ' CD1' ' A' ' 65' ' ' ILE . 72.8 mt -96.24 144.68 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -106.31 136.05 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -111.82 105.36 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.01 177.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -66.88 80.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.39 41.28 1.92 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -124.05 129.24 50.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 0.0 110.905 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.4 m -84.32 175.85 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.91 -69.58 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.439 ' CA ' HD12 ' A' ' 54' ' ' ILE . . . 89.37 43.7 5.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -127.02 114.02 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 111.115 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mmt-85 -90.14 137.59 32.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 pt -114.28 166.57 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.3 p -137.76 149.06 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.544 ' N ' HD22 ' A' ' 84' ' ' ASN . . . -102.43 105.62 2.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.918 -179.824 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.4 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.939 0.4 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.62 -172.81 31.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.9 mm -97.93 121.59 48.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.379 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 20.8 m-85 -122.65 153.56 39.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 67.2 t -70.44 106.13 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -43.35 75.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 m -163.21 168.2 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.3 t -140.55 113.23 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.151 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.439 HD12 ' CA ' ' A' ' 30' ' ' GLY . 4.6 mp -56.59 135.09 77.58 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 111.092 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 162.61 41.4 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.529 ' HA2' ' CE1' ' A' ' 61' ' ' HIS . . . 53.2 30.65 39.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.495 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 19.2 p -115.14 -177.58 3.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.98 -48.72 72.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.072 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.91 -54.28 40.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -57.21 -55.35 35.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.529 ' CE1' ' HA2' ' A' ' 56' ' ' GLY . 22.3 m-70 -48.28 -52.53 20.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.877 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.429 ' ND2' ' CG1' ' A' ' 19' ' ' VAL . 19.9 t30 -49.82 -51.85 36.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.59 33.75 24.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.44 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -128.59 -30.13 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.743 0.306 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.425 ' CD1' HD12 ' A' ' 21' ' ' LEU . 11.4 mt -113.97 104.82 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -146.71 177.44 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.6 m -42.59 162.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 64.01 46.32 3.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -146.62 142.27 27.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 3.9 ttpp -107.25 125.27 50.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 53.9 mt -97.09 128.5 48.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.453 ' CG2' HG23 ' A' ' 101' ' ' THR . 5.2 m -106.4 -32.09 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.76 135.3 20.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.48 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 96.8 t -106.1 116.65 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.48 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 3.5 p30 50.48 35.42 11.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.11 -23.26 37.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.2 t -72.91 109.19 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -68.49 90.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.542 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 4.9 pt -82.48 19.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -58.08 90.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 100.51 28.98 6.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.542 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.2 m-85 -90.18 146.15 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.476 ' CB ' ' CE1' ' A' ' 85' ' ' HIS . . . -68.58 138.45 55.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.544 HD22 ' N ' ' A' ' 35' ' ' GLY . 5.9 m120 -33.62 -43.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.476 ' CE1' ' CB ' ' A' ' 83' ' ' ALA . 11.9 p-80 -73.91 -47.19 39.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' ALA . 1.4 m-20 -49.0 -37.6 20.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.0 t -70.9 -39.04 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 99.1 t -56.34 -54.67 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 8.7 pt-20 -58.3 -38.21 76.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.447 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 94.0 t -56.46 -42.65 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.6 mt -63.5 -47.99 79.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -57.76 -42.72 84.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -59.8 -40.68 89.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.15 151.52 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -109.67 -153.48 14.71 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.519 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -51.87 -61.21 2.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.6 t -77.08 99.99 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 88.4 t -113.83 107.98 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.437 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 11.2 m80 -91.57 99.3 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.14 129.68 34.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.453 HG23 ' CG2' ' A' ' 72' ' ' VAL . 10.3 m -105.52 109.36 21.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.75 162.01 20.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.7 p -139.39 108.52 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -108.47 164.73 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -72.43 131.82 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.41 ' CD ' ' O ' ' A' ' 13' ' ' LEU . 4.0 mtpm? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.1 p -131.79 176.06 8.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 110.836 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 m -107.3 150.25 26.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -141.4 -136.45 3.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 4' ' ' GLY . 84.0 p 34.38 46.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.854 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 p -127.09 115.13 18.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.5 161.68 37.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 9' ' ' SER . . . 155.58 156.04 7.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.534 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 8' ' ' GLY . 58.8 m -34.99 134.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -83.33 43.67 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -81.44 -61.71 1.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.3 m -104.63 75.71 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.82 -37.74 77.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.419 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . 2.5 m-85 -100.72 171.69 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -130.11 129.82 44.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.9 m -94.55 144.82 25.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -148.36 147.45 29.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -98.49 138.76 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.47 HG23 ' CD1' ' A' ' 102' ' ' LEU . 2.5 t -123.85 114.27 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.443 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 15.0 tt0 -88.9 97.57 11.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 65' ' ' ILE . 63.0 mt -85.56 147.93 26.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.8 p -111.4 134.73 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -105.22 104.95 14.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -50.63 175.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -67.05 83.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.08 40.52 2.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -120.4 160.14 23.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.7 p -111.38 178.56 4.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.1 tp -68.56 -52.67 29.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.43 43.76 29.69 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.1 mt -131.56 119.39 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -89.99 135.71 33.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.1 pt -114.28 160.24 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.5 p -133.81 141.75 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.637 ' N ' HD22 ' A' ' 84' ' ' ASN . . . -103.96 109.53 3.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -100.02 147.38 25.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.911 0.386 . . . . 0.0 110.935 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.5 t -119.61 -27.17 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.54 75.29 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.513 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.2 t -59.86 177.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.755 0.312 . . . . 0.0 111.178 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 t -86.69 157.17 19.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.3 t60 62.24 35.08 15.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.2 p -150.01 155.38 39.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -98.6 36.88 3.74 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -83.42 178.61 7.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.362 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.71 -175.39 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.0 p -148.94 122.47 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.95 -178.59 20.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.516 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.1 mm -89.87 123.08 41.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.508 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 80.1 m-85 -127.26 150.79 49.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 97.0 t -72.23 95.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.14 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -58.57 -45.55 88.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.444 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 4.3 m -159.31 179.11 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.7 t -137.04 110.17 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.3 mp -60.22 128.17 87.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.651 0.739 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.9 66.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.653 2.236 . . . . 0.0 112.364 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.97 29.06 69.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.53 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 6.3 p -122.2 174.51 6.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.66 -55.82 19.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.18 -56.02 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -54.11 -51.26 64.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 57' ' ' SER . 66.8 m-70 -55.41 -54.76 39.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -50.12 -53.81 24.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.55 29.73 35.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.466 ' CB ' HG12 ' A' ' 19' ' ' VAL . 14.1 m170 -115.62 -40.53 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.311 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 21' ' ' LEU . 18.0 mt -97.67 122.42 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.3 mp0 -143.94 168.94 18.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.444 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 27.3 m -50.09 170.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 62.18 41.65 10.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -134.24 148.04 50.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.508 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.7 ttpt -109.56 111.24 22.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.408 HG22 ' CD1' ' A' ' 100' ' ' LEU . 5.3 mp -82.56 121.03 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 101' ' ' THR . 6.4 m -102.52 -22.88 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.43 144.14 13.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.48 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 84.1 t -115.42 115.83 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.48 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 2.4 p30 51.13 33.66 9.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.17 -22.73 38.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.76 109.65 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -68.98 86.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.6 pt -86.83 14.67 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' ILE . 66.6 mt-30 -37.59 -62.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.07 48.12 0.98 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.2 m-85 -101.7 168.26 9.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.39 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.76 153.05 22.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.637 HD22 ' N ' ' A' ' 35' ' ' GLY . 25.8 m120 -38.26 -54.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -63.26 -43.08 99.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -60.66 -31.12 70.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 69.9 t -78.95 -35.6 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.5 -53.13 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.03 -38.49 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.54 -46.25 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.4 mt -59.2 -47.55 84.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -61.74 -40.94 96.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -64.04 -38.37 90.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.83 145.3 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.32 -157.51 32.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -51.39 -62.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.04 100.64 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 70.5 t -110.53 105.42 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 75' ' ' ASP . 13.0 m80 -90.55 93.29 9.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -78.18 135.5 37.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.468 ' N ' HD12 ' A' ' 100' ' ' LEU . 11.6 m -108.35 106.17 16.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.47 ' CD1' HG23 ' A' ' 19' ' ' VAL . 1.3 mp -116.92 158.75 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.419 ' CG2' ' HB2' ' A' ' 14' ' ' PHE . 3.3 p -140.81 112.16 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -113.29 154.21 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -61.37 126.5 27.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -63.0 170.16 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.9 m 65.48 45.86 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.5 t -127.64 176.52 7.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 108' ' ' SER . 89.7 p -35.55 -42.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.9 m -44.56 167.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.4 t -102.36 149.91 23.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 43.0 m -40.64 151.37 0.26 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -167.31 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 38.0 mt -96.37 -57.38 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -132.51 73.2 77.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.659 0.742 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 148.05 63.93 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.606 2.204 . . . . 0.0 112.379 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 165.75 29.86 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.35 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 m -129.1 140.87 51.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -86.47 80.64 8.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.22 144.62 42.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 122' ' ' THR . . . -92.79 47.74 2.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 121' ' ' GLY . 11.3 t 34.06 39.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.808 0.337 . . . . 0.0 111.132 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 5.0 p -88.37 143.91 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.4 p -93.64 43.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 90.5 -166.05 31.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 1.25 4.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.336 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.0 p -51.29 -21.75 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 129' ' ' GLY . 22.9 t -142.59 163.47 32.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 128' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.486 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -53.43 -55.89 21.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t 55.73 42.17 29.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.06 123.96 1.22 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.3 p -72.53 138.8 47.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 110.825 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -63.65 -46.68 84.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.7 169.1 32.63 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.06 87.22 0.61 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.5 p -152.55 167.64 28.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.68 51.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 13' ' ' LEU . 57.6 m -54.35 -179.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' SER . 20.8 m -35.94 93.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 11' ' ' SER . 1.9 mm? -57.02 -32.01 65.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.469 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . 2.8 m-85 -104.53 170.91 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -126.7 130.88 51.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -96.76 135.32 38.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 102' ' ' LEU . 32.2 p90 -141.86 151.25 42.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.961 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.45 ' N ' HD21 ' A' ' 18' ' ' ASN . 1.7 m-80 -104.62 134.36 47.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.447 HG21 ' CD1' ' A' ' 102' ' ' LEU . 2.4 t -119.01 113.69 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.505 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 8.2 tt0 -85.42 103.03 13.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.0 mt -94.03 142.61 27.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 p -105.95 136.59 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -115.74 109.77 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -49.71 -179.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -72.29 83.02 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.828 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.87 35.64 2.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -120.08 136.66 54.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.1 p -83.84 156.79 22.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.1 tp -48.49 -52.85 20.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.89 51.41 4.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 86.0 mt -142.21 114.15 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 111.146 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -84.63 144.69 28.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.4 pt -121.19 170.95 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 p -155.25 141.89 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.75 131.31 10.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -125.75 149.74 48.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.938 0.399 . . . . 0.0 110.955 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.8 m -125.68 -24.25 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.02 60.04 9.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -105.79 -37.18 6.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.6 m -118.96 63.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -173.65 168.85 4.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.3 t -78.66 164.84 24.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 44' ' ' GLU . . . 38.83 85.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.443 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 43' ' ' GLY . 51.2 mt-10 -35.57 116.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.24 94.07 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.081 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.5 p -118.67 138.84 52.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.28 174.39 16.5 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mm -85.4 128.57 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 111.142 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.514 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 91.2 m-85 -129.29 159.75 35.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.2 t -82.12 101.72 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -67.12 -35.5 79.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -164.58 174.68 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.0 t -134.19 95.49 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.0 mp -40.72 132.43 1.77 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 160.9 48.0 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.723 2.282 . . . . 0.0 112.335 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 48.07 35.49 13.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.8 p -117.99 175.47 5.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.883 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.2 -56.73 17.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.43 -43.73 62.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -66.07 -47.49 74.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -56.43 -48.62 76.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -59.11 -47.05 86.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.33 34.42 54.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -117.03 -39.59 3.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.5 mt -95.99 128.67 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -143.98 172.53 12.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.437 HG22 ' ND2' ' A' ' 68' ' ' ASN . 28.1 m -59.34 173.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.437 ' ND2' HG22 ' A' ' 67' ' ' VAL . 2.4 m-20 62.8 35.23 13.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.51 152.38 50.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 4.5 ttpp -113.41 128.34 56.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.0 mp -96.79 128.87 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.9 m -107.93 -22.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.62 145.69 18.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.2 t -121.32 107.8 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.7 t70 63.83 31.03 14.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.87 -15.56 62.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.5 t -82.51 114.39 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -68.82 91.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.2 pt -85.12 16.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.47 96.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.07 -16.15 33.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -51.72 129.93 27.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.929 0.395 . . . . 0.0 110.848 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.433 ' HB1' ' CE1' ' A' ' 85' ' ' HIS . . . -62.95 157.93 20.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -39.48 -52.6 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.433 ' CE1' ' HB1' ' A' ' 83' ' ' ALA . 38.9 p-80 -68.7 -48.83 62.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -46.02 -36.86 6.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.7 t -76.09 -37.38 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.33 -56.77 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 9.7 pt-20 -53.13 -37.19 61.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.444 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 93.3 t -57.57 -46.99 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.41 -46.14 91.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -59.9 -40.25 88.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -63.52 -38.75 92.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.93 161.46 2.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.85 -149.13 9.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -58.07 -58.31 9.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.862 0.363 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 90.4 t -75.48 96.53 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.45 106.1 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 20.1 m80 -89.96 92.23 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 101' ' ' THR . 0.2 OUTLIER -75.8 127.46 33.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.453 ' N ' HD11 ' A' ' 100' ' ' LEU . 8.3 m -100.66 111.93 24.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 2.4 mp -119.49 155.28 32.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 14' ' ' PHE . 2.1 p -133.74 107.21 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -107.56 154.73 20.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -67.47 132.46 47.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 107' ' ' THR . 12.0 mttm -72.49 -47.35 49.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 106' ' ' LYS . 60.0 m -33.88 140.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.9 m -39.19 116.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.6 p -166.66 176.89 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.82 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.1 m -76.16 52.46 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 112' ' ' SER . 22.7 p -141.19 160.56 39.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 111' ' ' THR . 48.6 p -36.37 152.43 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.682 0.753 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -166.47 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.718 2.279 . . . . 0.0 112.311 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 115' ' ' GLU . 1.2 pt? -76.54 -35.06 58.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.422 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 62.2 tt0 -133.81 73.98 70.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.638 0.732 . . . . 0.0 110.916 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 158.55 56.69 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.746 2.297 . . . . 0.0 112.356 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 84.05 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.32 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 90.7 p -167.91 -179.63 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.16 -178.46 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.455 ' N ' ' HD3' ' A' ' 120' ' ' ARG . 0.5 OUTLIER -98.32 172.32 7.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -130.03 157.04 21.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.9 t -85.45 115.79 23.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 111.147 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 124' ' ' SER . 73.3 t -108.68 147.11 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.44 ' N ' HG13 ' A' ' 123' ' ' VAL . 90.2 p -108.52 -45.25 3.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.87 -96.03 0.84 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 171.14 14.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.343 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.1 t -118.23 101.14 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 36.6 p -123.19 -48.04 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.458 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -74.02 -55.7 5.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 m 61.37 42.1 12.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.17 -115.75 1.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -154.35 171.63 18.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 t -167.99 170.4 10.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.95 162.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -128.58 89.21 0.32 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.9 p -53.89 158.35 2.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.365 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -122.19 41.58 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -85.4 -57.16 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -103.1 79.23 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.82 -37.04 85.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -100.82 173.55 6.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.424 ' HB3' ' CE ' ' A' ' 106' ' ' LYS . 2.2 pt-20 -135.82 129.71 32.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 17' ' ' TYR . 90.1 m -94.32 139.84 30.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.416 ' N ' HG22 ' A' ' 16' ' ' THR . 42.7 p90 -144.3 145.04 31.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -95.1 136.25 35.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 102' ' ' LEU . 2.9 t -121.94 115.47 46.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 20' ' ' GLU . 4.4 tm-20 -90.35 102.03 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.419 HD11 ' CD1' ' A' ' 65' ' ' ILE . 47.1 mt -92.41 137.63 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.6 131.7 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.186 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -99.1 106.97 19.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -57.87 169.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.74 85.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.88 44.13 5.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.456 ' HG2' ' N ' ' A' ' 28' ' ' SER . 40.8 tt0 -118.1 152.6 35.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.347 . . . . 0.0 110.907 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.456 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 65.2 m -102.26 152.07 21.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.1 tp -46.39 -61.18 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.427 ' C ' HD13 ' A' ' 54' ' ' ILE . . . 89.64 47.34 4.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.55 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.8 mt -136.26 121.0 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -94.97 128.66 41.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.404 ' HB ' ' CG2' ' A' ' 48' ' ' ILE . 7.5 pt -106.31 173.75 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 p -152.14 147.46 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.58 106.99 3.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -87.55 144.67 26.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.914 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.0 t -116.44 -25.12 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.162 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.46 87.75 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.8 t -116.29 40.45 2.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.777 0.322 . . . . 0.0 111.122 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.0 m -144.02 -178.95 6.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 41' ' ' HIS . 0.0 OUTLIER -46.79 -20.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.2 p -82.77 103.11 12.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.76 -49.93 27.1 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -78.0 47.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.38 26.8 10.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.3 t -112.38 121.71 45.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.76 -164.14 34.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.404 ' CG2' ' HB ' ' A' ' 33' ' ' ILE . 17.7 mm -101.05 137.53 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.491 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 13.5 m-85 -137.34 146.94 45.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.6 t -69.21 101.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -68.1 -42.94 79.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.7 m -160.38 170.54 20.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.4 t -132.6 105.4 8.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.427 HD13 ' C ' ' A' ' 30' ' ' GLY . 4.2 mp -51.6 130.43 35.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.659 0.742 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 156.01 64.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.7 28.59 63.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.5 p -115.03 170.85 8.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.32 -51.84 41.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.24 -53.69 55.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -53.13 -51.84 60.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -53.88 -53.09 57.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -49.77 -54.78 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.75 33.5 24.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.446 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.462 ' CB ' HG12 ' A' ' 19' ' ' VAL . 12.3 m-70 -118.68 -39.7 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.419 ' CD1' HD11 ' A' ' 21' ' ' LEU . 17.4 mt -93.48 125.97 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -143.17 167.13 22.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.5 m -56.82 171.68 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 64.66 40.24 5.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -133.38 157.06 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 18.0 ttpt -116.24 113.4 22.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.0 mp -83.84 121.07 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.411 ' CG2' HG23 ' A' ' 101' ' ' THR . 9.1 m -105.51 -29.04 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.4 142.68 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.0 t -129.32 118.97 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.4 t70 63.63 35.91 11.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.96 25.33 69.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.7 t -124.86 116.69 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -62.88 96.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.499 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.6 pt -86.91 15.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.181 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -56.92 92.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.25 -25.54 7.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 7.0 m-85 -47.78 130.78 14.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.895 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.439 ' N ' ' HB2' ' A' ' 86' ' ' ASP . . . -67.88 166.38 15.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -42.66 -60.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -63.06 -45.41 92.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.439 ' HB2' ' N ' ' A' ' 83' ' ' ALA . 10.3 m-20 -48.79 -32.33 8.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.5 t -82.59 -39.09 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.2 t -57.05 -49.98 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -58.87 -39.43 81.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 84.7 t -55.96 -42.7 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.8 mt -63.44 -47.7 80.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -59.48 -43.3 93.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -61.07 -40.01 92.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.22 157.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.37 -155.85 19.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -50.1 -61.38 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 89.5 t -73.6 95.42 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 96.1 t -104.8 100.03 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.408 ' NE2' ' HB2' ' A' ' 20' ' ' GLU . 6.1 m80 -86.74 99.93 12.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.63 132.52 34.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.411 HG23 ' CG2' ' A' ' 72' ' ' VAL . 9.9 m -105.6 109.37 21.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.469 ' CD1' HG22 ' A' ' 19' ' ' VAL . 1.5 mp -120.35 158.38 27.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.0 p -141.86 112.21 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -111.95 155.49 23.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -68.33 122.31 18.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.424 ' CE ' ' HB3' ' A' ' 15' ' ' GLU . 24.3 mttt -59.97 -44.35 94.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 108' ' ' SER . 97.3 m -38.28 140.23 0.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.443 ' N ' HG22 ' A' ' 107' ' ' THR . 33.1 p -56.75 172.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.6 t -97.07 174.56 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.4 p -57.37 166.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 12.0 t -60.44 142.11 55.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.435 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 13.4 m 59.75 54.94 4.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.683 0.754 . . . . 0.0 110.848 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 112' ' ' SER . 54.4 Cg_endo -69.73 -171.13 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.645 2.23 . . . . 0.0 112.334 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 37.4 mt -104.91 -56.51 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -121.68 65.08 17.54 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 143.52 51.16 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.682 2.254 . . . . 0.0 112.331 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 124.24 10.88 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.1 p -101.79 40.03 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -148.14 136.11 21.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.462 ' N ' ' HD2' ' A' ' 120' ' ' ARG . 2.5 mpt_? -76.63 106.42 8.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.75 166.27 48.77 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 69.0 p -62.66 133.92 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 111.09 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 124' ' ' SER . 11.0 p -90.19 130.11 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 123' ' ' VAL . 6.0 m -37.78 135.79 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -90.88 -174.61 44.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 123.25 9.92 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 33.7 t -118.22 97.02 5.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.809 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 68.8 m -83.46 149.84 26.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.432 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -120.84 83.81 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.389 . . . . 0.0 110.895 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 p -51.99 135.75 30.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.29 -89.52 0.96 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -124.83 121.71 35.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 m -58.72 -47.19 85.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.96 52.32 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.15 122.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.6 t -125.92 138.23 53.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.878 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.449 ' OD1' ' CD1' ' A' ' 13' ' ' LEU . 3.3 t70 -113.67 51.19 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.3 t -99.8 -61.3 1.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 m -102.29 67.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.449 ' CD1' ' OD1' ' A' ' 10' ' ' ASP . 3.3 mm? -66.32 -31.83 72.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -113.4 159.98 18.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -119.28 133.56 55.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.2 m -98.95 142.98 29.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -144.31 144.74 31.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -96.5 133.07 41.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.468 HG21 ' CD1' ' A' ' 102' ' ' LEU . 2.5 t -119.37 113.21 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -88.28 93.92 9.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.441 HD22 ' ND2' ' A' ' 62' ' ' ASN . 52.7 mt -83.37 142.47 31.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.433 HG22 ' N ' ' A' ' 23' ' ' ARG . 11.7 p -108.3 140.66 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.433 ' N ' HG22 ' A' ' 22' ' ' VAL . 28.1 mtm180 -107.89 105.85 15.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -53.48 173.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -60.96 89.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.08 42.25 4.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.456 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -119.25 159.74 23.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.0 p -113.07 179.73 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 tp -74.74 -50.93 15.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.62 44.77 62.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.528 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.468 ' CG1' ' HB1' ' A' ' 59' ' ' ALA . 88.6 mt -129.03 99.54 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.106 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -72.57 133.38 44.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.9 pt -109.53 162.84 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.418 HG21 ' NZ ' ' A' ' 51' ' ' LYS . 5.4 p -135.86 142.97 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.88 109.2 3.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -102.82 144.55 31.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.3 t -114.69 -33.89 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.83 114.21 0.26 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.0 t -82.81 36.7 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 111.157 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 t -161.68 143.89 11.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.419 ' C ' HG21 ' A' ' 42' ' ' THR . 0.4 OUTLIER -61.26 -38.61 87.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.419 HG21 ' C ' ' A' ' 41' ' ' HIS . 73.0 p -148.17 116.8 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.155 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.75 -47.45 0.87 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.52 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -78.89 138.25 38.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.27 122.62 17.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.0 p -123.77 129.1 50.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.12 -161.67 25.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.412 ' C ' ' CD1' ' A' ' 49' ' ' TYR . 28.0 mm -98.92 140.62 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.554 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 15.7 m-85 -142.77 159.77 41.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.0 t -78.01 105.82 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.418 ' NZ ' HG21 ' A' ' 34' ' ' VAL . 4.6 tppt? -69.5 -47.96 62.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.9 p -147.83 167.68 24.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.98 86.12 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.404 ' H ' ' CD1' ' A' ' 54' ' ' ILE . 4.8 mp -47.77 131.92 11.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 164.1 35.85 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.13 18.23 47.83 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 p -110.88 161.06 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.92 0.391 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.01 -47.37 11.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.468 ' HB1' ' CG1' ' A' ' 31' ' ' ILE . . . -57.91 -58.67 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -54.58 -55.48 28.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -50.15 -54.46 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.586 ' ND2' ' CD2' ' A' ' 64' ' ' HIS . 14.5 t30 -52.36 -45.86 65.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.12 35.31 53.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.586 ' CD2' ' ND2' ' A' ' 62' ' ' ASN . 76.7 m-70 -120.46 -38.9 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 110.823 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.411 ' CD1' HD11 ' A' ' 21' ' ' LEU . 20.2 mt -97.65 122.81 49.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.52 ' NE2' ' C ' ' A' ' 64' ' ' HIS . 10.9 mp0 -140.88 166.35 25.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.0 m -52.6 172.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 59.77 33.81 21.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.83 147.37 47.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.554 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.8 ttpt -108.66 120.06 41.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.8 mp -92.35 124.19 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.6 m -105.0 -22.09 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.76 141.18 16.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.8 t -124.33 123.99 67.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 99' ' ' HIS . 2.0 t70 62.73 30.25 16.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.33 20.84 65.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 81.5 t -120.31 121.58 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.377 . . . . 0.0 111.094 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -65.8 94.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.401 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 5.9 pt -90.05 17.77 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -59.92 90.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.4 -15.92 9.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 4.0 m-85 -54.01 133.24 43.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.468 ' N ' ' HB2' ' A' ' 86' ' ' ASP . . . -66.6 159.58 27.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -39.69 -54.36 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -68.25 -45.34 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.468 ' HB2' ' N ' ' A' ' 83' ' ' ALA . 4.0 m-20 -49.35 -33.24 13.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.92 -39.65 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 99.3 t -56.23 -49.84 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -59.82 -37.55 79.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 97.2 t -57.86 -45.42 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.5 -46.74 84.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -61.31 -40.96 96.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -62.28 -38.18 88.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.65 152.6 11.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.72 -150.5 23.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.457 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -54.06 -59.68 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.925 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.62 96.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 74.7 t -109.53 100.02 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 75' ' ' ASP . 11.4 m80 -84.74 103.61 13.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.07 131.66 34.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.6 m -106.96 111.2 23.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.18 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 19' ' ' VAL . 1.1 mp -119.38 159.63 23.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.01 111.76 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -113.33 160.4 18.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -66.09 132.12 47.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -74.86 161.69 29.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 69.6 p -62.18 104.57 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 m -162.66 125.51 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.1 p -97.22 172.96 7.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 40.2 t -115.1 152.96 31.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.7 t -56.76 135.52 55.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 60.5 p -140.8 142.11 27.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -168.87 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.7 2.267 . . . . 0.0 112.316 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 115' ' ' GLU . 1.3 pt? -92.84 -32.88 14.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.404 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 13.6 tt0 -134.96 71.55 69.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.728 . . . . 0.0 110.92 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 146.15 59.32 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 96.75 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.659 2.239 . . . . 0.0 112.303 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.9 m -102.76 -54.16 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -118.69 107.55 13.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -55.69 -48.47 75.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -123.72 -133.47 4.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.465 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.406 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 7.3 t -152.79 151.57 30.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 111.173 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 122' ' ' THR . 32.8 m 41.67 37.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.6 m -107.58 125.38 51.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 106.37 99.7 2.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.71 56.02 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.391 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.2 t -65.2 141.53 58.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 19.3 m -86.7 140.65 29.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 m -156.11 159.13 38.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -119.06 174.3 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.77 91.55 0.12 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.7 p -142.19 142.15 32.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -144.36 156.89 44.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.25 -117.22 0.82 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.58 115.64 0.21 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.454 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.6 t -111.12 42.44 1.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.43 ' CA ' HD21 ' A' ' 13' ' ' LEU . 1.7 m-20 53.21 42.95 32.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.9 p -96.84 -56.03 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.2 m -104.55 72.06 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.43 HD21 ' CA ' ' A' ' 10' ' ' ASP . 3.9 mm? -74.02 -28.87 61.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.957 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 11.7 m-85 -118.11 151.47 37.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -117.26 141.45 48.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.7 m -109.4 144.84 37.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -155.5 151.22 27.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.05 135.0 43.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.439 ' CG1' ' ND2' ' A' ' 62' ' ' ASN . 2.2 t -113.9 117.87 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.543 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 18.3 tt0 -92.68 90.12 6.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 65' ' ' ILE . 79.7 mt -78.18 147.66 34.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -111.49 132.01 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -111.06 107.21 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -52.04 -178.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -72.25 82.26 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.99 -43.21 1.39 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -52.65 139.99 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.339 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 m -101.44 159.78 14.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 tp -37.76 -69.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.68 55.33 2.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.445 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.466 ' CG1' ' HB3' ' A' ' 59' ' ' ALA . 66.1 mt -143.4 126.07 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.347 . . . . 0.0 111.072 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -99.98 138.65 36.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.0 pt -117.2 164.01 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.08 160.03 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -117.33 85.79 0.4 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -76.76 146.88 37.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.942 0.401 . . . . 0.0 110.923 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.6 t -123.47 -32.0 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.58 137.59 8.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.4 t -145.13 -178.41 6.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 0.0 111.173 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.545 ' O ' ' CG ' ' A' ' 41' ' ' HIS . 3.4 m 60.53 28.47 18.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 40' ' ' SER . 9.6 p-80 46.22 38.63 5.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.7 p -93.92 -41.04 9.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 44.86 42.52 7.86 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.528 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -116.04 13.84 15.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -173.23 107.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.062 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.9 p -153.92 112.07 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.33 -153.05 23.56 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.3 mm -102.04 124.16 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 76.3 m-85 -130.1 145.89 51.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.36 104.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -67.71 -38.23 83.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -165.41 175.96 8.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.409 ' CG2' ' HA ' ' A' ' 66' ' ' GLN . 90.5 t -143.35 114.14 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -57.93 132.55 83.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 157.82 59.07 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.356 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.54 32.08 68.18 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.1 p -118.92 -176.35 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.361 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.67 -52.61 35.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.136 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.466 ' HB3' ' CG1' ' A' ' 31' ' ' ILE . . . -57.48 -46.67 83.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -63.33 -55.97 20.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -50.29 -56.16 12.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.439 ' ND2' ' CG1' ' A' ' 19' ' ' VAL . 21.2 t30 -47.64 -46.77 29.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.33 34.45 50.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -123.44 -32.06 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.786 0.327 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.464 ' CD1' HD12 ' A' ' 21' ' ' LEU . 21.1 mt -111.96 102.12 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.409 ' HA ' ' CG2' ' A' ' 53' ' ' VAL . 0.7 OUTLIER -140.64 175.74 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.7 m -42.31 164.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 60.6 45.99 9.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -138.42 135.8 35.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 4.0 ttpt -102.72 114.45 28.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.1 mp -86.44 124.14 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.3 m -104.77 -22.23 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -158.75 151.4 21.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.1 t -131.86 119.48 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 59.94 36.34 21.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.23 26.62 61.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.7 t -124.39 118.35 53.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.847 0.356 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -66.32 96.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.442 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 5.9 pt -92.61 18.19 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -59.33 93.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.18 -19.57 13.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.4 m-85 -47.7 134.07 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -71.04 153.14 42.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 83' ' ' ALA . 20.6 t-20 -34.44 -57.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.4 ' CE1' ' HB1' ' A' ' 83' ' ' ALA . 12.4 p-80 -64.81 -46.79 80.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 83' ' ' ALA . 1.3 m-20 -51.56 -32.81 29.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.8 t -81.64 -33.59 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 72.9 t -58.81 -51.53 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.42 -41.54 72.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.99 -39.93 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.4 mt -65.88 -47.03 76.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -58.05 -43.45 86.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -58.9 -36.35 74.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.84 145.37 55.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -104.64 -150.07 20.12 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -48.81 -60.9 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 81.9 t -73.59 101.54 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 65.6 t -110.98 104.35 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.543 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 11.2 m80 -89.39 92.42 9.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.41 132.63 34.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.7 m -106.78 110.29 22.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.427 ' CD1' HG23 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -122.39 165.08 16.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.6 p -139.7 106.56 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -104.45 160.35 14.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -71.16 126.48 29.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.444 ' HD2' ' C ' ' A' ' 14' ' ' PHE . 14.2 mtpt -72.79 168.5 18.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 89.7 m -75.85 -52.59 10.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 m -147.29 136.28 22.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.2 t -84.05 118.57 24.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.8 p -116.26 -40.72 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 34.7 p -71.94 131.19 42.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.088 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.2 p -145.09 137.6 13.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.696 0.76 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -164.65 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.364 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.1 mt -93.31 -39.21 11.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -125.22 67.35 55.01 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.56 51.23 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.665 2.244 . . . . 0.0 112.336 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 165.73 29.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.721 2.281 . . . . 0.0 112.353 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.2 p -114.14 106.28 14.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.812 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -117.61 162.88 17.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -131.71 146.79 52.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -156.22 177.74 33.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.9 t -164.64 150.51 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 111.152 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.0 p -93.6 139.18 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.1 m -98.26 178.31 5.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -112.69 84.46 0.36 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 177.06 5.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.5 t -110.88 171.45 7.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.7 t 61.48 42.33 11.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -169.27 170.87 8.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -168.79 159.53 9.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.54 -126.74 2.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t 63.46 42.4 6.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.1 m -102.57 112.36 25.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.17 -118.19 1.43 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 126.43 131.18 3.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.4 m -151.26 118.98 6.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -33.95 55.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.2 p -44.1 -27.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.1 m -82.58 33.75 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.442 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 21.2 mt -40.71 -27.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.482 ' CE2' ' HD2' ' A' ' 105' ' ' ARG . 8.9 m-85 -111.15 157.62 19.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -124.02 131.66 53.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.3 m -97.06 144.19 27.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.409 ' CE1' ' NE ' ' A' ' 104' ' ' ARG . 48.3 p90 -151.18 153.65 35.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.03 132.03 51.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.474 ' CG1' ' ND2' ' A' ' 62' ' ' ASN . 2.0 t -113.14 109.91 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 32.4 tt0 -86.96 88.58 7.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.3 mt -79.85 137.23 36.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -102.09 132.22 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -101.57 99.54 9.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -50.87 179.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -60.86 89.85 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.9 -39.49 2.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.518 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -48.86 119.56 3.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.5 m -86.44 173.0 9.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 tp -56.53 -65.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.04 55.47 3.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.5 mt -137.16 120.3 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 111.129 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -96.13 139.0 32.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.6 pt -117.96 173.14 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 p -152.03 149.47 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.416 ' N ' HD22 ' A' ' 84' ' ' ASN . . . -102.7 115.28 5.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -98.51 150.44 21.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.946 0.403 . . . . 0.0 110.884 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.1 m -126.37 -24.8 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.36 97.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.4 t -125.82 -25.85 3.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.136 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.4 t -66.52 143.25 57.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' THR . 1.2 p-80 -58.82 156.22 11.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 41' ' ' HIS . 9.7 t 35.33 50.43 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.68 50.23 0.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.77 120.14 11.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.77 112.04 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.9 p -136.72 113.96 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.25 -169.65 42.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.7 mm -99.96 122.16 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.161 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.525 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 37.1 m-85 -129.06 148.67 51.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.5 t -63.9 120.18 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -78.83 -40.54 32.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.43 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 1.8 m -167.74 169.46 11.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.4 t -130.19 129.56 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.3 mp -75.86 124.93 88.76 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.719 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 121.87 8.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.0 16.57 18.69 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.7 p -112.82 176.18 5.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 0.0 110.893 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.94 -46.95 87.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.07 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.5 -32.88 69.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -82.17 -18.96 40.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.979 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -77.32 -46.29 23.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.474 ' ND2' ' CG1' ' A' ' 19' ' ' VAL . 16.2 t-20 -68.42 -40.22 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.72 18.73 78.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -106.04 -15.5 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 38.2 mt -122.24 95.11 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.93 177.91 7.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 16.3 m -50.36 165.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 64.94 38.37 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -130.93 157.53 42.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.8 ttpt -119.36 126.19 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.4 HG23 ' CD1' ' A' ' 100' ' ' LEU . 41.3 mt -94.36 123.87 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 m -102.79 -34.12 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.84 149.81 30.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.3 t -132.41 110.09 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.06 39.03 13.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.6 24.6 67.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.4 t -119.23 108.42 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -64.14 93.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 81' ' ' GLY . 6.5 pt -88.45 10.08 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -58.48 78.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 122.71 17.65 3.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -87.96 149.13 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -73.59 145.58 45.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.055 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' ALA . 4.5 m120 -34.52 -61.32 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -59.36 -45.02 92.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.53 -29.35 24.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.3 t -83.39 -35.27 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.3 t -60.71 -41.71 89.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 4.4 pt-20 -68.26 -31.64 71.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.438 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 93.7 t -65.66 -46.13 90.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.12 -42.56 99.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -64.82 -37.81 88.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 89' ' ' GLU . 28.6 m-80 -63.65 -32.82 74.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.22 148.53 36.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.51 -158.66 28.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -43.81 -61.04 1.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 90.9 t -73.94 96.55 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 56.4 t -102.72 97.23 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.502 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 5.2 m80 -82.04 94.78 7.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -85.68 125.59 33.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.457 ' N ' HD12 ' A' ' 100' ' ' LEU . 6.5 m -102.48 116.38 32.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.37 160.08 39.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.447 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 2.5 p -132.66 121.28 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.409 ' NE ' ' CE1' ' A' ' 17' ' ' TYR . 70.1 mtm180 -108.01 155.45 20.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.482 ' HD2' ' CE2' ' A' ' 14' ' ' PHE . 37.9 ttt180 -78.47 120.89 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.442 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 8.9 mttm -54.63 -178.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 108' ' ' SER . 39.8 p -73.52 178.64 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 107' ' ' THR . 33.0 m -36.71 138.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 91.5 p -117.02 -178.5 3.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.4 m -58.45 166.02 1.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.807 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 58.5 p 44.63 45.54 8.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.185 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.0 p -69.7 144.77 94.16 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.665 0.745 . . . . 0.0 110.902 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -166.83 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.254 . . . . 0.0 112.326 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 28.8 mt -104.16 -56.65 2.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -125.62 68.89 61.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 166.52 27.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 140.87 43.83 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.2 m -148.2 149.19 31.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -80.38 145.8 31.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -125.61 142.37 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.56 178.03 53.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 10.6 t -109.18 146.77 33.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.831 0.348 . . . . 0.0 111.135 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 88.9 t -144.79 113.91 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.3 t -81.63 159.72 23.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -105.94 170.5 16.97 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 179.73 3.47 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.248 . . . . 0.0 112.327 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.6 m -138.83 174.72 10.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 15.8 m 56.26 43.3 26.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.481 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m 65.38 41.37 4.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -67.15 -48.6 67.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.89 -101.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t 68.71 40.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.932 0.396 . . . . 0.0 110.903 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -140.86 151.84 44.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.2 -141.97 15.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.53 124.14 2.51 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 t -167.22 154.39 8.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.46 84.18 7.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 m -95.23 -74.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 m -88.88 83.46 6.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.412 HD12 ' CD2' ' A' ' 114' ' ' LEU . 3.8 mm? -79.65 -27.46 40.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.464 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 9.5 m-85 -111.78 167.86 10.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -131.7 121.11 23.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 85.6 m -83.82 127.87 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 102' ' ' LEU . 25.2 p90 -131.0 147.29 52.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.82 142.85 33.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.3 t -125.37 109.53 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -86.47 91.19 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.447 HD13 ' CD1' ' A' ' 65' ' ' ILE . 59.5 mt -78.86 154.61 29.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.2 p -116.59 129.43 73.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -99.09 104.62 16.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.423 ' N ' ' HB3' ' A' ' 27' ' ' GLN . 52.4 mttt -59.72 -179.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.61 89.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 79.18 36.28 27.95 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' HB3' ' N ' ' A' ' 24' ' ' LYS . 6.5 tp60 -103.31 122.37 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.93 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 m -80.43 168.71 18.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.434 ' CD2' HD21 ' A' ' 91' ' ' LEU . 11.1 tp -61.8 -62.89 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.11 48.34 5.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.527 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.7 mt -131.62 110.71 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.345 . . . . 0.0 111.113 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -84.68 131.26 34.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.5 pt -110.85 175.96 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.3 p -156.76 143.44 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.45 115.4 4.71 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -98.55 155.81 17.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.926 0.393 . . . . 0.0 110.924 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.6 m -128.4 -27.57 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.35 140.13 0.33 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t -123.57 32.45 5.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 111.124 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.1 t -145.75 145.86 31.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -73.9 -55.57 6.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.0 p -70.53 128.56 36.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.29 77.49 0.2 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.451 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -59.18 151.73 22.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.66 24.45 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 p -84.7 131.77 34.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.53 -171.01 31.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 mm -96.96 123.49 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 81.1 m-85 -123.67 153.64 40.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.2 t -75.92 105.56 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -70.01 -41.85 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -159.2 169.73 23.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.8 t -131.59 98.97 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.6 mp -52.31 123.06 27.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.63 0.728 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 154.54 67.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.33 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.19 14.43 80.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 p -112.11 179.15 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.841 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.02 79.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.46 -47.6 78.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -67.8 -41.48 83.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -59.02 -47.07 86.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -58.42 -57.95 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.52 28.84 18.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.419 ' O ' ' NE2' ' A' ' 66' ' ' GLN . 13.2 m170 -116.83 -40.57 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.447 ' CD1' HD13 ' A' ' 21' ' ' LEU . 22.2 mt -95.28 114.52 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 64' ' ' HIS . 2.9 mp0 -130.45 -175.1 3.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 33.1 m -67.42 174.37 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 57.85 29.87 18.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -120.03 146.78 45.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 11.1 ttpt -107.56 145.83 32.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.71 145.33 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 m -124.4 -27.2 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.33 147.7 24.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.7 t -130.09 116.07 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.7 t70 63.31 28.61 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.34 10.14 68.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.9 t -108.74 120.13 59.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -68.97 91.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.473 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 8.0 pt -83.42 14.94 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -58.8 96.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.01 -10.28 31.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 4.1 m-85 -62.0 132.68 53.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.82 151.99 32.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -38.65 -50.78 1.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 86' ' ' ASP . 12.9 p-80 -69.8 -45.14 68.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.546 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 32.1 m-20 -50.94 -31.14 16.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.5 t -80.35 -38.43 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.6 t -54.27 -55.46 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 5.9 pt-20 -53.6 -34.91 60.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.409 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 59.0 t -61.59 -44.39 98.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.434 HD21 ' CD2' ' A' ' 29' ' ' LEU . 18.1 mt -60.95 -43.0 99.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -63.18 -40.13 96.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -62.38 -37.69 86.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.12 147.53 24.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.39 -153.92 30.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -52.23 -58.98 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.7 t -73.7 102.02 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 55.0 t -108.02 108.01 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -92.13 99.51 12.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -90.22 115.57 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.453 ' N ' HD12 ' A' ' 100' ' ' LEU . 12.0 m -91.44 114.25 26.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 2.1 mp -122.77 156.95 33.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 2.9 p -119.64 116.95 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -98.84 160.94 13.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -91.89 117.1 29.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -64.76 164.6 11.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.2 m -161.86 148.12 13.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 m -39.28 109.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 61.9 p -167.62 -179.09 4.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.1 m -44.81 -42.41 7.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.8 t -68.37 179.79 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 80.6 p -55.24 136.93 68.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.667 0.746 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -177.25 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.312 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.412 ' CD2' HD12 ' A' ' 13' ' ' LEU . 28.3 mt -81.67 -31.99 31.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -134.12 71.3 73.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.01 19.89 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 5.47 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.241 . . . . 0.0 112.35 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 119' ' ' ASP . 8.3 t -53.35 168.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 118' ' ' SER . 0.4 OUTLIER -34.51 148.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -79.28 -69.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.26 -113.04 4.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.458 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 41.5 p -123.25 171.22 9.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 111.108 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 35.3 m -147.62 174.43 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.6 m -161.19 156.52 24.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -102.44 123.65 7.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.447 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.0 t -174.22 165.83 4.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.6 m -113.9 -52.86 2.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.9 p -89.36 167.69 12.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -121.6 166.64 13.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.46 97.23 0.11 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 t -158.21 140.84 14.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.919 0.39 . . . . 0.0 110.82 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -115.92 131.87 56.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.18 -162.21 26.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.97 -175.46 15.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 m -114.04 -179.42 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.363 . . . . 0.0 110.882 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.41 ' CG ' HD23 ' A' ' 13' ' ' LEU . 27.9 t70 -84.9 44.39 1.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.3 t -89.92 -58.5 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.9 p -113.67 82.75 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 1.4 mm? -79.0 -24.74 43.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -106.14 172.85 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -136.2 126.63 26.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -96.16 136.66 36.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 102' ' ' LEU . 27.0 p90 -139.49 143.32 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -96.01 131.15 42.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.455 HG13 ' CB ' ' A' ' 64' ' ' HIS . 2.5 t -118.75 115.1 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 11.3 tt0 -90.92 98.07 11.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.1 mt -88.28 140.43 29.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 23' ' ' ARG . 13.4 p -105.64 145.19 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.443 ' N ' HG23 ' A' ' 22' ' ' VAL . 29.7 mtm180 -111.9 100.87 9.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -47.86 175.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -56.88 95.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.48 39.93 29.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.455 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -111.47 145.59 38.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.5 m -92.88 -179.23 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 tp -74.57 -69.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.11 47.1 3.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.7 mt -128.31 118.81 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.115 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -90.95 126.98 36.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.3 pt -110.71 169.95 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -151.9 140.75 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.0 99.52 1.54 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -83.97 151.03 25.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.924 0.392 . . . . 0.0 110.885 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.428 HG21 ' N ' ' A' ' 38' ' ' GLY . 27.6 m -129.69 -29.28 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.099 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.449 ' HA3' ' CE1' ' A' ' 41' ' ' HIS . . . -35.28 115.2 0.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.513 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -118.75 -41.7 2.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.798 0.332 . . . . 0.0 111.13 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.3 t -72.13 -57.07 4.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.449 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 12.9 p-80 -40.67 140.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.412 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 13.0 t -40.26 141.99 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 63.81 73.22 0.57 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -41.9 122.77 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.87 106.98 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.1 p -147.5 132.48 18.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.86 -172.82 21.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.7 mm -94.51 124.76 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.53 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 96.7 m-85 -129.67 147.58 51.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.1 t -70.87 94.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -58.47 -42.46 87.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 m -161.28 172.75 16.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.2 t -130.08 105.73 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.6 mp -57.55 130.22 81.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.613 0.72 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 160.05 51.18 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.332 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.14 27.84 60.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 p -121.87 162.21 21.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -43.72 -55.66 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.31 -53.49 17.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -59.71 -46.08 90.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -50.35 -60.32 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.419 ' ND2' HG12 ' A' ' 19' ' ' VAL . 11.6 t-20 -59.14 -34.33 71.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.03 34.16 88.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.455 ' CB ' HG13 ' A' ' 19' ' ' VAL . 11.7 m-70 -111.01 -39.25 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.318 . . . . 0.0 110.803 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.1 mt -93.26 107.34 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -126.7 170.37 12.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.4 m -55.27 174.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 61.11 34.61 18.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -128.13 146.49 50.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.53 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 2.4 ttpt -107.45 115.2 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.401 ' CG2' HD13 ' A' ' 79' ' ' ILE . 18.7 mt -82.88 124.11 39.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.9 m -108.98 -24.9 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.46 144.22 21.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.5 118.71 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 t70 61.25 33.97 18.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.32 23.24 63.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 73.0 t -120.3 113.91 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.843 0.354 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -62.26 88.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.561 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.6 pt -84.34 17.04 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -58.16 96.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.41 -18.23 20.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 5.8 m-85 -51.9 129.8 27.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -65.64 154.68 38.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 83' ' ' ALA . 13.1 t-20 -34.57 -69.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -56.58 -38.36 71.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -57.02 -29.16 63.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.0 t -84.53 -37.61 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.88 -51.95 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.141 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -53.71 -41.8 67.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.73 -43.23 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.34 -47.98 79.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -58.24 -43.36 87.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -61.18 -39.51 90.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -46.25 149.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.14 -148.64 22.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -59.31 -58.12 10.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 90.4 t -78.13 98.68 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 98.8 t -109.22 102.47 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 11.8 m80 -89.04 102.59 15.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -88.55 135.38 33.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.472 ' N ' HD12 ' A' ' 100' ' ' LEU . 26.5 m -109.76 106.22 15.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.444 ' CD1' HG21 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -117.43 158.49 24.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.6 p -141.54 109.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -107.34 152.66 23.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.7 ttt85 -65.37 125.3 24.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 13.4 mttm -61.19 -178.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.5 m -89.03 121.09 31.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.5 p -58.78 163.34 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 89.1 p -100.6 103.04 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.813 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.3 t -97.65 129.81 44.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.1 m -79.28 95.71 5.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 55.9 p -51.46 112.8 3.37 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.646 0.736 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -166.39 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.9 pp -82.67 -39.25 22.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -131.86 69.71 80.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.618 0.723 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 140.54 43.0 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 110.68 2.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.5 p -122.53 155.17 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -147.52 152.79 38.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -59.37 158.39 9.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 162.48 136.12 1.94 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.406 ' HG1' ' N ' ' A' ' 123' ' ' VAL . 9.5 t -169.6 152.02 4.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 111.156 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.406 ' N ' ' HG1' ' A' ' 122' ' ' THR . 91.0 t -127.06 137.14 58.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 57.2 p -91.24 174.29 7.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -171.82 97.07 0.11 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 125.82 12.57 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 37.1 t -119.48 87.15 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 59.4 p -86.06 124.17 32.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.475 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -76.07 142.43 41.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m -96.21 -56.3 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.29 63.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -173.46 122.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.877 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -107.8 139.18 42.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.01 -78.34 1.4 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.519 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.74 -169.89 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.48 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.7 t -145.51 113.63 6.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.84 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 41.47 40.82 1.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.0 m -76.14 -64.28 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.8 m -102.72 85.63 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.436 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.7 mm? -64.82 -34.1 77.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.463 ' CD2' ' HA ' ' A' ' 105' ' ' ARG . 5.3 m-85 -107.51 169.27 8.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -131.95 134.83 46.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.2 m -95.9 147.41 23.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.451 ' CE1' ' HD3' ' A' ' 104' ' ' ARG . 40.9 p90 -153.28 149.8 28.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.36 130.33 47.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 102' ' ' LEU . 2.3 t -112.94 118.01 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.562 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 14.7 tt0 -94.82 93.44 7.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 65' ' ' ILE . 52.9 mt -73.66 170.05 16.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 p -132.79 134.62 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -113.15 106.65 14.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -51.8 -175.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -81.62 46.49 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 152.84 34.82 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.533 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.414 ' HG2' ' N ' ' A' ' 28' ' ' SER . 17.6 tt0 -130.75 155.5 46.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.414 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 1.8 t -110.28 178.97 4.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.6 tp -67.96 -53.95 22.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.73 50.42 24.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.425 ' CG1' ' HB3' ' A' ' 59' ' ' ALA . 78.6 mt -134.92 102.74 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.136 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.1 mmm-85 -78.67 137.58 37.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.0 pt -111.49 168.89 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 p -146.11 144.79 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.63 110.26 3.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -90.76 148.64 22.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.94 0.4 . . . . 0.0 110.896 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.2 t -123.83 -23.07 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.81 137.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.2 t -134.07 174.55 10.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.749 0.309 . . . . 0.0 111.146 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 t -47.77 -51.87 20.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -40.35 154.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.9 p -46.77 169.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.63 74.51 0.41 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -94.75 124.62 38.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.916 0.388 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -163.94 140.45 6.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.1 m -139.22 146.06 40.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 136.0 -154.91 22.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.3 mm -112.33 129.79 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 13.7 m-85 -133.89 154.87 50.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.51 117.62 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -80.53 -47.65 13.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.0 p -149.15 168.77 22.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 66' ' ' GLN . 88.7 t -134.69 78.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' VAL . 5.1 mp -37.48 130.15 0.85 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.742 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 163.96 36.33 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.366 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.94 22.29 59.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 p -116.94 166.46 12.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.83 -43.39 59.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.425 ' HB3' ' CG1' ' A' ' 31' ' ' ILE . . . -60.16 -57.07 14.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -56.77 -44.12 81.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -63.38 -45.71 89.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.41 ' ND2' ' CD2' ' A' ' 64' ' ' HIS . 13.3 t30 -57.92 -57.72 11.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.87 26.56 37.34 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.41 ' CD2' ' ND2' ' A' ' 62' ' ' ASN . 74.7 m-70 -119.89 -26.86 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.754 0.312 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.466 ' CD1' HD12 ' A' ' 21' ' ' LEU . 16.4 mt -114.56 100.24 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.459 ' HA ' ' CG2' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -129.43 176.43 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.467 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 30.7 m -50.54 178.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.467 ' CG ' ' O ' ' A' ' 67' ' ' VAL . 18.9 p30 49.06 35.16 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -124.06 139.75 53.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.556 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.0 ttpt -103.42 136.08 43.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.8 mt -106.8 139.72 27.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 m -120.67 -20.52 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.76 148.26 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.407 ' CG1' HD23 ' A' ' 91' ' ' LEU . 55.7 t -130.93 123.81 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 t0 59.81 29.68 19.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.24 22.03 61.53 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.5 t -119.77 115.33 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.373 . . . . 0.0 111.099 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -59.93 96.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.539 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 5.9 pt -91.78 17.65 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -59.73 93.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.89 -17.46 15.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.539 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 5.0 m-85 -50.92 131.62 26.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.425 ' N ' ' HB2' ' A' ' 86' ' ' ASP . . . -65.74 157.29 30.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 83' ' ' ALA . 26.0 t-20 -36.83 -65.38 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -59.17 -43.97 92.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.425 ' HB2' ' N ' ' A' ' 83' ' ' ALA . 49.5 m-20 -50.36 -32.18 16.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.2 t -84.32 -42.46 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.6 t -54.65 -43.47 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 10.4 pt-20 -63.75 -35.48 80.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.405 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 95.3 t -63.1 -43.63 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.407 HD23 ' CG1' ' A' ' 74' ' ' VAL . 44.3 mt -63.64 -44.17 94.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.964 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.7 mtp-105 -60.69 -39.66 89.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -63.35 -40.1 96.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.38 160.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.092 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.45 -158.7 12.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -43.39 -53.92 5.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.6 t -84.9 103.47 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 98.1 t -111.46 104.37 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 9.5 m80 -86.59 95.68 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 101' ' ' THR . 0.2 OUTLIER -84.74 130.26 34.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.458 ' N ' HD13 ' A' ' 100' ' ' LEU . 10.6 m -104.98 111.62 24.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -128.05 161.05 30.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.8 p -134.15 110.75 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.451 ' HD3' ' CE1' ' A' ' 17' ' ' TYR . 9.9 ptt180 -104.49 147.83 27.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.477 ' HD2' ' N ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -62.54 138.37 58.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.477 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 29.6 mttt -75.66 -174.73 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.0 p -142.83 179.01 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 65.8 p -41.16 -50.85 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.8 p -73.35 166.69 22.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.7 t 63.66 46.31 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.1 t -53.97 148.71 10.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.2 m -44.68 156.82 0.34 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.694 0.759 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -174.06 0.83 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.686 2.257 . . . . 0.0 112.41 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.457 ' CD1' ' HG2' ' A' ' 115' ' ' GLU . 4.1 pp -76.49 -28.8 56.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.457 ' HG2' ' CD1' ' A' ' 114' ' ' LEU . 5.1 pt-20 -134.12 69.11 74.5 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.607 0.718 . . . . 0.0 110.843 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 156.98 61.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.263 . . . . 0.0 112.37 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 90.99 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.1 p -47.2 149.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -170.46 146.45 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -130.86 149.67 52.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.822 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 143.16 65.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.4 t -131.11 129.28 41.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 111.116 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 92.2 t -146.19 121.35 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.5 t -148.81 153.58 38.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -135.04 167.52 24.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 145.91 58.87 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.734 2.289 . . . . 0.0 112.319 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.2 t -66.34 81.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 18.3 t -67.59 173.41 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.797 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 m -65.81 -53.23 42.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.839 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 t -155.61 141.62 18.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.0 83.63 0.64 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -97.54 141.29 30.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 m -71.94 -53.48 12.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.7 -97.64 0.14 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.16 106.97 0.23 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.8 p -137.13 152.13 49.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.825 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -78.84 96.9 5.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 12' ' ' SER . 4.7 t -137.76 148.76 45.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' SER . 13.2 m 34.94 53.95 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -58.2 -26.92 63.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 105' ' ' ARG . 5.8 m-85 -114.52 169.33 9.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -130.03 137.98 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 m -101.59 141.49 34.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -145.16 147.52 32.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -99.95 140.91 33.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.432 ' CG1' ' ND2' ' A' ' 62' ' ' ASN . 2.0 t -123.63 118.0 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HB2' ' NE2' ' A' ' 99' ' ' HIS . 3.4 tm-20 -92.21 100.69 13.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.7 mt -90.48 147.93 23.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -109.6 134.43 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -103.16 106.29 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -53.13 178.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -67.93 74.41 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.75 44.62 1.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -124.52 140.62 52.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 29' ' ' LEU . 1.1 t -95.25 146.09 24.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 28' ' ' SER . 11.8 tp -36.51 -54.14 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.73 47.68 7.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.478 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.4 mt -135.2 113.37 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 111.087 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 -82.08 135.34 35.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.8 pt -110.89 169.95 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 p -148.34 157.14 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.92 132.91 11.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -130.09 149.02 51.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 110.931 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.7 m -125.49 -22.76 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.47 145.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 t -98.56 169.09 9.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 111.13 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.6 t -53.84 97.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -157.64 -178.21 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.5 p -79.78 95.83 6.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.32 64.62 3.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -83.32 143.31 30.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.11 131.12 7.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.2 p -160.69 125.52 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.87 -146.59 17.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.0 mm -109.31 124.12 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.887 0.375 . . . . 0.0 111.094 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.564 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 43.6 m-85 -124.84 168.24 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.0 t -87.79 98.65 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -46.41 81.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.8 m -159.31 169.36 24.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 83.3 t -127.37 109.92 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.1 mp -63.46 124.57 84.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.624 0.726 . . . . 0.0 111.164 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 147.18 62.64 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.719 2.279 . . . . 0.0 112.38 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.3 14.65 81.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.1 p -110.69 176.09 5.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.73 -42.61 79.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.78 -55.84 22.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -62.27 -33.58 74.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -68.29 -36.64 79.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.432 ' ND2' ' CG1' ' A' ' 19' ' ' VAL . 36.5 t30 -68.03 -68.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.31 18.16 12.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.461 ' C ' ' NE2' ' A' ' 66' ' ' GLN . 10.6 m170 -110.23 -39.67 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.1 mt -94.2 117.44 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.461 ' NE2' ' C ' ' A' ' 64' ' ' HIS . 7.5 mp0 -138.34 173.88 11.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.31 168.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 63.94 30.06 14.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -120.52 138.49 53.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.564 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -100.79 123.08 44.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 75.1 mt -88.57 140.32 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.0 m -120.2 -33.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.54 150.14 32.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.7 t -134.68 110.25 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 t70 67.84 29.4 6.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.31 0.47 84.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.2 t -97.41 113.94 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -66.28 101.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 81' ' ' GLY . 6.1 pt -95.69 13.38 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -60.18 76.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 128.89 15.76 2.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -88.99 146.68 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.56 ' HB2' ' CE1' ' A' ' 85' ' ' HIS . . . -76.91 146.66 37.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 83' ' ' ALA . 8.1 m120 -35.25 -47.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 83' ' ' ALA . 7.0 p-80 -69.15 -44.17 72.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' ALA . 27.9 m-20 -58.32 -26.83 63.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.4 t -84.07 -32.7 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 83.8 t -60.89 -47.89 91.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -61.4 -33.51 73.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.28 -44.97 99.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.6 -44.38 94.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -62.94 -42.48 99.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -63.3 -31.11 72.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.24 145.55 42.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.05 -157.29 33.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.539 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -52.88 -61.53 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.925 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.01 99.18 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 98.6 t -107.05 113.82 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 20' ' ' GLU . 6.6 m80 -96.82 96.79 8.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.461 HD13 ' N ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -85.32 126.4 33.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.461 ' N ' HD13 ' A' ' 100' ' ' LEU . 2.8 m -100.79 115.67 30.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.41 ' CD1' ' N ' ' A' ' 102' ' ' LEU . 0.8 OUTLIER -125.73 155.4 41.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.8 p -127.7 112.78 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -107.46 143.8 35.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.53 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 2.1 tmt_? -66.27 137.55 57.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -80.15 -176.0 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.1 p -86.67 167.98 14.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 m -41.49 -44.76 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 90.5 p -70.32 138.76 51.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.8 m -150.06 127.63 11.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.8 m -58.53 139.64 55.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.6 m -77.48 115.9 53.36 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.682 0.753 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 178.09 4.94 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.341 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 mp -95.46 -48.08 6.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -132.57 68.93 79.74 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 153.31 69.23 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 172.41 12.63 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.1 t -142.21 111.55 6.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -170.56 154.22 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.01 158.72 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -109.13 -95.77 2.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.533 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 63.6 p -119.21 154.07 33.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.837 0.351 . . . . 0.0 111.098 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.41 ' O ' ' CG1' ' A' ' 123' ' ' VAL . 6.4 p -120.39 41.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.6 t -48.77 -59.01 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 114.22 122.23 3.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 173.07 11.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 53.6 p -156.48 118.67 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 35.4 t -162.65 149.19 12.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 m -99.2 143.81 29.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -148.45 166.2 28.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.54 161.72 16.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 p -123.49 137.14 54.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.898 0.38 . . . . 0.0 110.82 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 p -85.79 173.63 9.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.5 123.95 1.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.77 101.33 2.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 p -164.71 125.26 2.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.854 0.359 . . . . 0.0 110.87 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -74.57 73.48 1.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 t -102.84 -64.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -98.58 81.38 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.423 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 3.8 mm? -68.15 -27.78 66.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.538 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 4.3 m-85 -107.11 174.88 5.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -128.17 117.97 22.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.1 m -93.39 135.08 34.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -146.39 151.51 37.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.48 129.79 53.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.426 HG23 ' CD1' ' A' ' 102' ' ' LEU . 2.1 t -110.07 113.84 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 9.8 tt0 -90.78 92.26 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.454 HD11 ' CD1' ' A' ' 65' ' ' ILE . 66.7 mt -81.21 151.81 27.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -114.8 133.2 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.6 mtm180 -100.76 102.05 13.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 26' ' ' GLY . 32.9 mttm -59.56 170.9 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 25' ' ' ASP . 14.3 p-10 -51.51 86.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 105.36 -35.79 4.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -51.99 129.49 27.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.5 p -96.09 171.21 8.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.1 tp -53.42 -54.64 34.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.68 50.05 9.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.436 ' CG1' ' HB1' ' A' ' 59' ' ' ALA . 77.3 mt -134.86 120.54 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 111.138 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.4 mmt-85 -94.95 128.52 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.6 pt -108.35 170.02 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 p -147.95 148.54 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.8 106.6 2.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -96.15 130.71 43.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.94 0.4 . . . . 0.0 110.924 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.4 t -101.38 -31.33 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.69 -135.54 20.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.44 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.0 t -134.38 162.21 32.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 111.167 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 t -39.13 -54.45 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -70.99 168.39 17.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.1 p -88.69 49.88 1.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.16 -64.13 0.55 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.6 176.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.36 130.67 34.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.05 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.6 p -137.43 112.72 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.2 -174.84 31.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 49' ' ' TYR . 11.7 mm -85.97 137.95 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 111.112 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.518 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 61.4 m-85 -143.9 149.02 36.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 65.1 t -73.55 99.42 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -61.37 -41.84 97.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -161.96 176.33 10.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.3 t -142.1 111.33 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.412 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 4.6 mp -59.73 137.19 90.01 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HD2' ' CG2' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.75 162.81 40.62 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.67 2.247 . . . . 0.0 112.356 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 52.23 20.36 6.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.0 p -104.91 165.41 11.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.809 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.41 -49.29 35.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.436 ' HB1' ' CG1' ' A' ' 31' ' ' ILE . . . -58.43 -55.98 28.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -53.16 -61.79 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -45.43 -54.24 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -45.7 -61.12 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.73 19.93 49.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -108.39 -36.17 6.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.748 0.308 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.454 ' CD1' HD11 ' A' ' 21' ' ' LEU . 21.9 mt -99.15 117.79 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -128.53 169.51 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.1 m -65.51 176.14 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 60.61 32.04 20.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -120.13 161.72 20.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -120.29 122.26 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.43 ' N ' ' HD2' ' A' ' 70' ' ' LYS . 22.3 mt -90.96 134.99 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.36 -24.47 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.88 140.66 18.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.7 t -122.37 123.02 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.152 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t0 59.81 29.34 18.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.16 19.47 62.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.539 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 82.2 t -118.32 116.29 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -60.83 94.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.544 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 7.0 pt -89.43 14.31 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -56.43 92.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.54 -22.58 10.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.544 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 4.5 m-85 -47.44 130.16 13.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -63.04 152.75 36.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 83' ' ' ALA . 10.6 t-20 -34.5 -66.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.431 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 51.7 p-80 -57.28 -47.99 80.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 23.5 m-20 -47.49 -27.46 1.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 71.0 t -86.52 -32.15 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.29 -50.38 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.36 -38.35 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.12 -48.62 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.6 -42.05 87.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 71.0 mtp85 -63.43 -38.44 91.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -64.56 -38.61 91.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.33 145.69 31.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.67 -159.13 28.73 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -41.48 -53.85 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.1 t -79.35 107.14 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 71.9 t -114.71 101.65 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.491 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 9.1 m80 -86.16 94.64 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.432 HD11 ' C ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -85.72 119.15 25.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 17.3 m -94.78 114.55 26.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.431 HD13 ' CD1' ' A' ' 100' ' ' LEU . 4.2 mp -119.06 168.24 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.3 p -151.51 111.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -111.08 147.25 35.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.538 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 2.5 ttm-85 -65.64 124.17 21.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 11.4 mttm -64.21 -46.37 84.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 106' ' ' LYS . 79.5 m -37.31 125.06 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.8 m -105.19 136.19 45.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.3 t -87.04 145.18 26.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 57.8 m -101.91 -49.83 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.4 t -46.99 150.0 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.7 t -42.64 110.46 0.86 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.64 0.734 . . . . 0.0 110.829 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -165.57 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.9 mp -78.79 -41.12 31.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -133.84 73.73 70.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 145.8 58.48 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 118' ' ' SER . 53.7 Cg_endo -69.74 -178.18 2.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.712 2.275 . . . . 0.0 112.317 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 117' ' ' PRO . 74.8 p 34.6 45.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -144.3 130.64 19.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -79.39 153.31 29.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -71.79 -179.13 31.71 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.419 ' C ' HG21 ' A' ' 123' ' ' VAL . 13.9 t -85.25 140.3 30.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 111.14 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.419 HG21 ' C ' ' A' ' 122' ' ' THR . 35.8 m 37.15 45.19 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.158 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.1 t -52.94 -40.72 63.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -68.48 164.02 48.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.449 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 127' ' ' SER . 53.8 Cg_endo -69.77 2.82 3.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.639 2.226 . . . . 0.0 112.371 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 126' ' ' PRO . 39.9 t -34.45 -58.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 24.4 p -82.85 122.61 28.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -126.84 162.76 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.84 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.4 p -140.92 172.8 12.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.84 -72.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -96.66 151.08 19.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.934 0.397 . . . . 0.0 110.832 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -97.34 163.58 12.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.75 167.59 12.49 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.38 -146.58 45.99 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.47 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.3 m -63.29 94.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.2 94.56 9.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 12' ' ' SER . 2.3 m -127.54 146.42 50.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.817 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 14' ' ' PHE . 11.4 m 34.39 51.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.862 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.444 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 21.1 mt -37.15 -28.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 12' ' ' SER . 20.3 m-85 -105.96 150.18 25.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -121.16 144.18 48.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.4 m -105.52 150.02 25.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -149.54 153.42 37.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -99.29 131.35 45.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.469 HG11 ' ND2' ' A' ' 62' ' ' ASN . 1.0 OUTLIER -115.6 112.29 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -92.47 89.96 6.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.445 ' CD1' HD13 ' A' ' 31' ' ' ILE . 39.1 mt -80.54 142.59 34.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 p -106.38 134.88 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -112.49 112.0 23.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -52.77 -178.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.3 85.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.73 38.37 3.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.47 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -119.04 129.47 55.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.918 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.7 m -77.76 154.88 31.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.3 tp -47.51 -66.87 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.458 ' HA3' ' CB ' ' A' ' 57' ' ' SER . . . 93.96 50.57 2.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.445 HD13 ' CD1' ' A' ' 21' ' ' LEU . 76.5 mt -137.3 105.46 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 111.159 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -77.42 134.07 38.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.9 pt -117.35 166.14 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.5 p -143.33 150.44 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.63 100.33 1.78 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -85.18 160.13 19.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.96 0.41 . . . . 0.0 110.935 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.3 t -129.01 -30.82 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.138 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.68 78.73 0.81 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.3 t -69.97 159.62 33.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.77 0.319 . . . . 0.0 111.178 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.9 t -41.74 -53.24 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' THR . 4.2 t-160 -43.9 149.07 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' HIS . 58.2 p -35.58 126.05 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 44' ' ' GLU . . . 165.81 -56.42 0.25 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 43' ' ' GLY . 4.1 mm-40 33.44 45.52 0.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.846 0.355 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.53 98.97 5.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.2 p -116.09 128.55 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.31 -177.05 30.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.8 mm -89.94 127.26 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.547 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 84.9 m-85 -126.45 158.1 36.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.7 t -78.19 98.38 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.161 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -61.9 -38.06 86.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -162.26 173.25 14.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.5 t -133.46 89.01 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.2 mp -44.81 129.28 5.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.617 0.723 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 163.45 38.25 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.12 22.12 41.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.458 ' CB ' ' HA3' ' A' ' 30' ' ' GLY . 8.0 p -112.51 162.36 15.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.829 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.67 -39.98 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.79 -56.9 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -56.19 -48.96 75.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -48.4 -55.98 9.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.469 ' ND2' HG11 ' A' ' 19' ' ' VAL . 24.9 t30 -50.59 -63.46 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.55 22.47 21.46 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -110.51 -38.71 5.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.7 0.286 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.416 HG21 ' CD2' ' A' ' 102' ' ' LEU . 37.7 mt -95.4 121.89 46.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -142.07 178.87 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.1 m -63.48 169.21 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 68.44 30.76 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.77 158.67 34.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.547 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 1.4 ttpp -118.53 113.27 21.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.4 mp -83.19 119.82 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.417 ' CG2' HG23 ' A' ' 101' ' ' THR . 3.7 m -100.94 -24.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.82 137.25 15.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.0 t -119.21 121.71 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 99' ' ' HIS . 7.5 t70 59.37 31.58 21.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.99 17.64 69.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.4 t -113.19 112.7 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -64.02 96.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' GLY . 8.2 pt -88.93 13.04 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -62.69 77.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 140.31 -3.76 2.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.519 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -77.12 -174.81 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.364 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.0 171.09 9.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -47.69 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -56.15 -45.74 79.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.78 -31.21 66.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.9 t -81.76 -32.97 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.07 -46.6 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 4.7 pt-20 -61.52 -31.98 72.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.458 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 73.0 t -63.84 -41.66 93.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.41 -45.54 79.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.7 mtt-85 -59.94 -44.04 94.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -59.79 -35.2 74.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.25 145.03 27.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.99 -158.91 33.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -48.15 -62.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 97.6 t -72.66 99.22 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 85.8 t -107.68 103.55 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' ASP . 8.5 m80 -89.76 107.9 19.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.4 tp -93.04 156.34 16.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.417 HG23 ' CG2' ' A' ' 72' ' ' VAL . 2.9 m -127.95 98.8 5.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.466 ' CD1' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -117.72 148.28 42.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.6 p -128.05 108.71 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -108.42 167.58 9.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -71.54 120.34 16.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.444 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 9.2 mttm -51.0 -46.62 61.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.3 m 68.47 46.55 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 t -41.14 145.35 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 91.8 p -91.75 166.75 12.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.6 m 59.01 43.08 18.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 76.1 p -96.08 159.38 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.086 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 91.3 p -112.7 89.56 13.35 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.673 0.749 . . . . 0.0 110.819 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -166.3 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.649 2.233 . . . . 0.0 112.344 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.7 mt -99.46 -48.21 4.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -134.97 74.23 64.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 125.4 12.07 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.651 2.234 . . . . 0.0 112.345 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 153.33 69.07 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.3 m -116.71 141.68 47.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -149.19 171.39 16.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -89.75 138.2 31.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -136.79 132.22 5.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 54.7 p -99.64 38.78 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 111.139 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.8 p -105.0 145.68 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.4 p -52.1 108.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 129.23 150.07 7.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 140.51 42.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.342 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.0 t -79.27 153.54 29.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.1 m -153.56 155.32 35.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.443 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -142.28 124.62 15.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -157.64 128.05 6.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.92 172.02 29.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.0 t -126.74 122.63 35.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -85.13 161.09 19.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.05 -155.74 18.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.74 75.87 0.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.1 m -122.28 165.77 15.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -78.15 87.18 4.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.0 p -121.59 138.57 54.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.5 m 50.24 53.2 13.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -49.48 -40.55 37.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 2.1 m-85 -104.96 173.59 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -135.97 123.59 22.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 m -86.21 143.87 27.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -152.16 146.27 25.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.45 132.26 37.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.444 HG11 ' ND2' ' A' ' 62' ' ' ASN . 2.2 t -113.02 109.42 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 16.5 tt0 -84.26 107.62 16.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 65' ' ' ILE . 41.2 mt -97.87 143.83 28.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.1 p -105.74 135.24 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -106.27 107.69 18.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -50.42 177.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -70.4 81.96 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.13 41.01 2.51 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -124.11 155.27 38.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.879 0.371 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.2 m -106.85 177.69 4.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.1 tp -66.44 -69.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.11 32.9 8.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.443 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.434 ' CG1' ' HB1' ' A' ' 59' ' ' ALA . 75.7 mt -117.84 112.43 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.349 . . . . 0.0 111.098 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -80.93 133.25 35.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.0 pt -113.49 165.39 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.176 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -147.64 143.67 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.6 82.38 0.55 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -57.51 159.25 5.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.943 0.401 . . . . 0.0 110.918 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.4 t -131.02 -34.09 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.19 140.79 0.78 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 40' ' ' SER . 13.8 t -136.88 176.27 8.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.747 0.308 . . . . 0.0 111.162 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 41' ' ' HIS . 43.5 p -36.11 -42.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 40' ' ' SER . 3.9 t-160 -34.78 114.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.8 t -40.12 140.16 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.38 42.23 8.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.458 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.62 145.92 26.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.68 115.39 5.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.5 t -118.23 139.12 51.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.27 -175.63 22.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.5 mm -85.85 127.93 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 72.5 m-85 -133.54 157.86 44.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.8 t -79.73 102.92 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -67.81 -39.75 83.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.9 m -161.41 168.54 23.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.7 t -132.18 93.91 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.5 mp -43.01 131.32 3.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 160.05 51.16 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.666 2.244 . . . . 0.0 112.384 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.83 28.19 52.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.3 p -115.21 170.39 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.826 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.82 -47.51 73.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.434 ' HB1' ' CG1' ' A' ' 31' ' ' ILE . . . -58.33 -54.24 49.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -57.62 -45.3 85.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -52.83 -58.52 6.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.444 ' ND2' HG11 ' A' ' 19' ' ' VAL . 21.8 t30 -46.89 -59.8 2.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.32 27.77 12.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.451 ' C ' ' NE2' ' A' ' 66' ' ' GLN . 13.2 m-70 -118.37 -39.49 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 21' ' ' LEU . 18.5 mt -91.91 115.09 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.451 ' NE2' ' C ' ' A' ' 64' ' ' HIS . 5.8 mp0 -140.93 174.97 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.9 m -59.21 165.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 67.52 30.85 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -121.74 155.03 36.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 7.9 ttpt -118.39 122.25 42.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.451 HG13 ' CD2' ' A' ' 102' ' ' LEU . 4.9 mp -87.63 132.09 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.443 ' CG2' HG23 ' A' ' 101' ' ' THR . 4.0 m -111.67 -25.71 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -163.8 138.62 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.471 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 83.8 t -111.34 121.7 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.471 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 1.3 p30 53.59 25.23 4.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.56 -20.48 41.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.38 119.13 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.342 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -71.97 94.94 1.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.435 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.5 pt -88.43 13.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -55.13 91.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.42 -24.59 11.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.435 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.5 m-85 -41.85 141.98 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -73.95 156.2 37.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 83' ' ' ALA . 12.0 t-20 -36.49 -58.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -65.21 -44.15 89.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -51.54 -28.37 13.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.2 t -86.57 -38.79 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 90.5 t -57.24 -45.56 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -62.78 -38.71 91.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.7 t -59.59 -42.4 88.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.36 -46.46 88.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -57.9 -40.96 81.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -62.08 -40.83 97.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.32 148.99 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -109.75 -152.63 14.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -47.5 -62.01 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.361 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.1 t -75.25 104.2 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 85.8 t -120.57 105.72 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.481 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 18.6 m80 -92.73 97.49 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.466 ' CD1' HD22 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -82.8 110.42 17.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.443 HG23 ' CG2' ' A' ' 72' ' ' VAL . 18.3 m -81.55 103.56 11.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -120.48 158.0 28.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.432 HG23 ' CB ' ' A' ' 14' ' ' PHE . 3.1 p -136.11 113.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 1.7 ptm85 -105.87 154.83 20.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.573 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 2.3 ttm180 -70.37 118.77 13.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -55.57 162.38 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.8 m -63.88 139.49 58.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.0 m -143.75 170.37 16.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.1 t -61.65 134.12 56.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.8 m -114.04 178.15 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.1 t -108.32 41.82 1.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.435 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 3.6 m 42.46 54.87 9.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.696 0.76 . . . . 0.0 110.887 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 112' ' ' SER . 53.6 Cg_endo -69.76 -166.55 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.4 mt -80.34 -36.61 33.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -133.7 72.46 73.56 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 158.28 57.5 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.45 30.99 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.289 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.8 p -131.28 124.87 31.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -114.69 120.63 40.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -130.93 112.8 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 150.76 -174.29 30.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.1 t -170.39 159.17 6.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 111.157 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 32.7 m -115.97 171.74 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.5 t -115.72 -50.57 2.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 86.54 137.33 4.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.439 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -173.73 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 72.7 p -161.83 170.4 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.803 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 69.3 m -131.1 -63.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.516 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -113.68 159.44 19.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.349 . . . . 0.0 110.922 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 p -41.11 162.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.16 109.85 2.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -171.6 173.23 4.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.369 . . . . 0.0 110.841 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -64.19 117.37 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.67 140.62 2.97 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.74 121.99 1.04 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -69.86 80.01 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -105.31 73.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.3 t -97.33 -65.83 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -83.15 101.51 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.421 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 8.1 mp -89.57 -26.51 20.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -105.83 159.27 16.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -122.05 129.21 52.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.6 m -95.57 141.51 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -150.56 150.07 30.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.88 135.71 46.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.8 t -118.3 113.86 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.497 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 16.0 tt0 -84.63 91.51 7.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.443 ' CD1' HD13 ' A' ' 65' ' ' ILE . 84.4 mt -79.33 139.83 37.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 23' ' ' ARG . 11.0 p -105.26 142.57 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.183 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.416 ' N ' HG23 ' A' ' 22' ' ' VAL . 29.0 mtm180 -107.42 106.22 16.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -49.0 178.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -64.98 90.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.92 45.95 5.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.532 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.435 ' HG2' ' N ' ' A' ' 28' ' ' SER . 39.4 tt0 -123.46 151.7 42.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 110.917 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.435 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 74.5 m -99.49 158.15 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.4 tp -50.66 -68.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.403 ' C ' HD11 ' A' ' 54' ' ' ILE . . . 91.74 49.18 3.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.438 HD12 ' CD1' ' A' ' 21' ' ' LEU . 67.1 mt -135.25 114.61 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -90.34 135.57 33.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.1 pt -112.03 163.73 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 p -147.55 140.97 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.569 ' N ' HD22 ' A' ' 84' ' ' ASN . . . -91.66 103.06 3.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -79.88 154.99 27.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.934 0.397 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 63.6 t -125.23 -22.66 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.93 150.2 0.14 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 40' ' ' SER . 11.1 t -167.93 161.71 13.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 111.096 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' THR . 56.2 m -34.56 -42.63 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -38.12 -67.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.2 p -101.21 40.07 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.95 -76.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -171.73 127.11 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -165.03 107.87 0.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.4 p -128.6 144.93 51.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.94 -169.5 24.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.2 mm -96.24 126.92 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 111.153 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.556 ' CE1' ' HG2' ' A' ' 70' ' ' LYS . 9.8 m-85 -128.25 156.03 43.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.0 t -74.57 111.37 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -74.07 -40.74 62.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 m -164.41 170.12 16.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.13 104.55 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.403 HD11 ' C ' ' A' ' 30' ' ' GLY . 4.6 mp -52.31 129.88 42.31 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.64 0.733 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 155.51 65.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 59.56 29.87 67.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 p -115.88 179.46 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.51 64.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.81 -44.14 81.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -65.25 -50.41 65.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -50.79 -50.53 55.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.404 ' ND2' HD22 ' A' ' 21' ' ' LEU . 35.6 t30 -51.69 -61.65 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.55 26.46 17.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.543 ' C ' ' NE2' ' A' ' 66' ' ' GLN . 12.5 m170 -114.85 -34.69 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.443 HD13 ' CD1' ' A' ' 21' ' ' LEU . 45.9 mt -98.22 122.2 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.543 ' NE2' ' C ' ' A' ' 64' ' ' HIS . 7.1 mp0 -138.22 173.81 11.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.16 172.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 62.2 41.35 10.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -130.55 163.79 26.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.556 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -124.46 123.45 40.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.1 mp -87.8 132.76 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 m -116.2 -24.32 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.85 145.49 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.8 t -129.88 119.19 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 60.34 30.44 19.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.06 20.12 59.81 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.2 t -119.27 112.76 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -62.16 90.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.42 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 7.5 pt -84.36 13.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -55.43 96.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.32 -21.99 14.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.42 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.7 m-85 -48.72 132.25 17.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.864 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -62.72 150.09 42.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.104 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.569 HD22 ' N ' ' A' ' 35' ' ' GLY . 6.0 m120 -38.05 -55.11 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -66.19 -40.27 90.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -56.49 -33.76 66.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.5 t -77.49 -37.2 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.5 t -53.5 -50.49 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 90' ' ' VAL . 5.9 pt-20 -55.08 -43.85 74.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.428 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 89.8 t -57.64 -34.35 47.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.2 mt -71.99 -44.27 63.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 93' ' ' ASN . 11.4 ptt180 -66.89 -43.64 82.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.435 ' N ' ' HG2' ' A' ' 92' ' ' ARG . 24.8 m-80 -66.7 -21.11 66.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.47 148.52 48.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.11 -160.75 29.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -50.89 -63.07 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.405 ' CG1' ' HG3' ' A' ' 20' ' ' GLU . 98.4 t -70.92 97.49 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 94.2 t -107.81 105.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.497 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 17.5 m80 -87.63 94.71 9.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.448 ' CD1' HD11 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -83.6 118.21 23.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.425 ' N ' HD13 ' A' ' 100' ' ' LEU . 5.2 m -94.24 118.34 31.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 100' ' ' LEU . 1.4 mp -127.05 153.42 45.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.7 p -129.97 106.69 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -100.02 155.83 17.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -74.4 127.53 33.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 29.5 mttt -64.96 -51.86 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.3 m -43.15 131.32 4.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 97.5 p -47.07 148.07 1.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 20.3 t -73.82 124.75 26.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 57.8 p -66.8 92.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.8 m -159.02 133.31 7.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.161 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.1 m -108.3 77.63 0.74 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -166.48 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.644 2.23 . . . . 0.0 112.321 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.0 pp -80.01 -37.42 34.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -127.73 69.79 76.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.69 67.35 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.346 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -172.57 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.6 t -84.03 109.69 17.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.812 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.14 143.27 57.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -79.27 172.44 13.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -90.07 -121.54 2.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 75.8 p -106.55 170.67 7.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 111.148 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 11.9 p -110.42 138.07 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.6 m -146.99 153.46 40.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -156.11 -148.79 5.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 164.77 33.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.304 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 36.3 p -78.39 135.86 37.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.792 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 85.3 p -175.03 142.95 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 3' ' ' SER . 35.2 p -50.5 -45.95 56.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.826 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 2' ' ' SER . 4.4 t -36.61 -46.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.07 169.34 15.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 t -166.48 145.94 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.361 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 p -162.87 141.98 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . -100.76 47.42 1.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . 37.17 72.2 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m -169.76 170.4 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -115.89 76.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.3 t -104.43 -64.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.3 m -82.52 103.66 12.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.42 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 7.7 mp -89.56 -31.6 17.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.467 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 15.6 m-85 -98.85 165.49 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -136.21 130.36 33.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.4 m -95.58 149.0 21.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -150.24 145.12 26.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -97.01 132.73 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 102' ' ' LEU . 2.5 t -119.91 117.27 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.518 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 12.2 tt0 -98.31 93.36 6.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.469 HD23 ' ND2' ' A' ' 62' ' ' ASN . 21.7 mt -79.64 162.75 25.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 p -121.65 142.91 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -115.28 102.43 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 26' ' ' GLY . 23.6 mmmt -56.53 171.03 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -58.98 84.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 115.28 -40.39 2.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -45.33 160.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.1 m -125.61 177.45 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.456 ' CD2' HD21 ' A' ' 91' ' ' LEU . 10.0 tp -62.54 -69.34 0.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.79 53.46 3.99 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.438 ' CG1' ' HB3' ' A' ' 59' ' ' ALA . 79.3 mt -134.0 94.02 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 111.152 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -65.82 128.11 34.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.1 pt -106.38 157.3 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 p -128.34 146.55 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.69 122.97 7.76 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -127.63 142.6 51.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.951 0.405 . . . . 0.0 110.913 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 38' ' ' GLY . 30.7 m -123.79 -29.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 37' ' ' VAL . . . 72.61 38.29 57.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' GLY . 7.0 t -34.54 -41.79 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 41' ' ' HIS . 31.9 p -117.07 -173.05 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.526 ' CD2' ' N ' ' A' ' 41' ' ' HIS . 0.0 OUTLIER -31.86 -78.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.438 ' H ' ' CD2' ' A' ' 41' ' ' HIS . 22.4 p 42.99 37.11 1.02 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.21 44.45 26.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.447 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 42.17 31.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.72 96.45 10.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.2 t -139.42 135.14 33.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.43 -162.79 28.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.0 mm -96.92 118.92 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 41.8 m-85 -122.13 162.13 21.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.7 t -79.81 114.13 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -43.25 48.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.1 177.3 11.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' A' ' 66' ' ' GLN . 88.6 t -134.15 92.83 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.134 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.439 ' H ' ' CD1' ' A' ' 54' ' ' ILE . 3.9 mp -48.1 134.76 11.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.549 0.69 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 159.58 52.93 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.715 2.277 . . . . 0.0 112.341 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.23 30.44 64.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.2 p -117.86 170.26 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.85 -45.54 86.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.438 ' HB3' ' CG1' ' A' ' 31' ' ' ILE . . . -59.44 -49.83 76.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -57.89 -38.06 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -71.59 -49.59 38.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.469 ' ND2' HD23 ' A' ' 21' ' ' LEU . 22.1 t30 -51.5 -59.96 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.03 28.05 26.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -121.98 -27.82 4.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.454 ' CD1' HD11 ' A' ' 21' ' ' LEU . 11.5 mt -111.33 120.49 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.452 ' HA ' ' CG2' ' A' ' 53' ' ' VAL . 0.4 OUTLIER -157.02 170.33 22.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.3 m -40.13 161.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 65.18 39.71 5.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -140.77 130.26 23.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 4.3 ttpp -96.44 131.06 43.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.2 mp -104.65 124.04 59.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.436 ' CG2' HG21 ' A' ' 101' ' ' THR . 14.0 m -100.17 -26.25 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.66 148.24 28.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.3 119.88 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.8 t70 59.45 36.71 23.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.91 23.04 70.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.3 t -120.21 119.72 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.091 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -67.39 97.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.426 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 6.5 pt -97.96 18.73 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -44.47 -71.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -91.95 42.18 2.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.426 ' CG ' ' HA ' ' A' ' 79' ' ' ILE . 3.1 m-85 -99.19 145.49 27.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -83.7 151.06 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.063 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' ALA . 5.4 t-20 -34.37 -63.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -54.86 -46.82 74.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -53.63 -34.17 57.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.2 t -77.75 -35.31 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.6 t -57.79 -54.26 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 14.4 pt-20 -55.34 -41.03 71.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.444 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 72.5 t -53.69 -41.8 48.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.456 HD21 ' CD2' ' A' ' 29' ' ' LEU . 17.9 mt -65.63 -46.17 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -58.42 -43.27 88.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -61.43 -40.37 94.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.09 154.61 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.07 -153.51 12.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -50.17 -61.0 2.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.37 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.1 t -75.31 102.41 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.2 t -110.51 107.33 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 8.3 m80 -92.74 104.12 16.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.472 HD11 ' N ' ' A' ' 101' ' ' THR . 0.2 OUTLIER -93.96 136.7 33.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.472 ' N ' HD11 ' A' ' 100' ' ' LEU . 10.7 m -111.22 104.2 12.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -118.61 161.53 19.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 3.7 p -138.71 116.46 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -104.82 152.04 23.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -74.51 123.11 24.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 107' ' ' THR . 24.1 mttt -61.85 175.42 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 106' ' ' LYS . 7.7 m 34.2 40.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 109' ' ' SER . 12.2 t -108.16 172.6 6.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 108' ' ' SER . 40.9 t -34.59 100.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.815 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 78.9 p -145.33 178.46 8.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.9 p -56.29 165.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.435 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 75.4 p 44.72 54.44 12.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.73 . . . . 0.0 110.83 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 112' ' ' SER . 53.8 Cg_endo -69.74 -170.31 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.475 HD13 ' CG ' ' A' ' 115' ' ' GLU . 4.1 pp -79.14 -28.76 42.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.475 ' CG ' HD13 ' A' ' 114' ' ' LEU . 14.3 mm-40 -134.46 69.29 73.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.626 0.726 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 157.12 61.51 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.34 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 161.38 46.14 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.738 2.292 . . . . 0.0 112.327 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.5 t -70.56 110.59 5.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -118.39 -34.48 4.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -90.59 -57.52 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.12 -41.36 2.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.1 t -83.06 41.1 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 111.142 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 124' ' ' SER . 92.6 t -148.48 123.15 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 123' ' ' VAL . 89.9 p -34.64 142.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -165.49 -93.86 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -179.39 2.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.3 t -160.37 176.04 12.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.8 t -48.51 105.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.4 p -171.89 130.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -120.61 175.13 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.78 162.22 30.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -155.19 159.56 40.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -157.0 158.08 35.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.27 121.36 1.14 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.21 89.57 0.1 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.454 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.6 t -66.82 -54.17 25.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -69.68 -41.33 75.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 10' ' ' ASP . 14.3 m -35.03 152.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' PHE . 39.4 m 55.44 54.91 7.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 mp -40.03 -29.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.549 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 33.7 m-85 -101.21 147.47 26.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -122.7 147.01 46.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.4 m -109.22 144.69 36.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -144.18 146.89 33.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -98.43 127.78 44.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 102' ' ' LEU . 2.6 t -114.17 113.66 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 2.0 tm-20 -92.46 101.57 14.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.5 mt -89.98 139.71 30.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.9 p -98.94 137.0 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -119.36 105.29 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -56.83 179.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.03 101.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.877 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' GLN . . . 96.51 -43.71 2.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLY . 42.3 tt0 -36.63 143.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.946 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.6 m -107.36 157.68 17.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.6 tp -42.49 -65.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.86 55.45 2.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.5 mt -141.46 119.75 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 mmm-85 -90.25 132.34 35.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 pt -112.18 170.03 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -155.07 140.3 10.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.11 84.33 1.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.532 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -60.63 131.56 51.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.984 0.421 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.6 t -102.1 -34.64 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.14 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.89 63.66 2.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.455 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.2 t -96.45 46.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 111.108 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.3 t -133.71 155.86 48.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' THR . 3.1 t-160 -76.53 159.48 30.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' HIS . 5.1 t 34.08 41.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -171.72 66.64 0.14 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -84.11 87.63 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.05 96.24 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 t -116.31 132.79 56.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.03 -170.85 29.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.42 133.74 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.119 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.506 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 54.7 m-85 -139.66 147.86 41.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.5 t -68.4 104.58 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -67.99 -44.91 75.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -158.28 169.76 23.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.3 t -125.9 106.19 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.0 mp -53.41 129.31 52.18 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 0.0 111.175 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 154.8 67.17 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.77 22.8 54.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.445 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 p -110.48 168.57 9.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.815 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.19 -50.11 30.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.64 -58.06 9.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -47.27 -59.27 3.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -44.77 -59.82 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -50.96 -41.46 59.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.93 35.75 91.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.45 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -115.09 -36.96 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.3 mt -97.06 102.97 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -104.82 -174.49 2.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.7 m -82.22 171.39 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 66.94 36.04 4.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -121.06 166.14 14.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.506 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.9 ttpt -121.22 122.23 39.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.424 ' CG2' HD12 ' A' ' 100' ' ' LEU . 16.6 mt -97.05 124.56 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.7 m -103.33 -22.2 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.15 145.41 19.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.9 t -127.74 121.91 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 55.6 38.41 30.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.25 24.14 71.95 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.6 t -118.0 108.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 111.131 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -60.86 95.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.475 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.9 pt -95.89 18.09 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.07 75.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 123.29 19.72 2.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.461 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 2.9 m-85 -83.02 158.35 22.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.379 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' ASP . . . -81.41 142.0 33.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' ALA . 22.6 t-20 -34.46 -57.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -65.16 -36.23 83.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 83' ' ' ALA . 6.4 m-20 -60.6 -30.02 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.5 t -79.97 -31.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.9 t -61.83 -52.1 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -58.04 -40.8 81.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 72.7 t -53.63 -42.67 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.01 -46.31 81.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -59.54 -43.65 93.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -59.96 -38.48 82.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.43 145.91 13.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.95 -157.28 33.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -50.92 -60.27 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.832 0.348 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.413 HG13 ' CG ' ' A' ' 20' ' ' GLU . 96.4 t -74.74 100.02 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 89.2 t -106.15 101.99 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 5.7 m80 -85.09 101.29 12.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.452 HD13 ' N ' ' A' ' 101' ' ' THR . 0.2 OUTLIER -88.84 128.3 35.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.452 ' N ' HD13 ' A' ' 100' ' ' LEU . 5.8 m -101.71 107.63 18.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.44 ' CD1' HG21 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -120.53 156.58 31.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.0 OUTLIER -134.4 111.94 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -109.89 158.47 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.549 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 1.6 ttt180 -69.98 123.2 20.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -66.38 168.05 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 108' ' ' SER . 8.6 m -105.79 151.35 24.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.43 ' N ' HG22 ' A' ' 107' ' ' THR . 37.6 t -36.04 -37.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.4 t -52.12 167.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.2 t -56.87 -177.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.5 p -64.62 143.32 58.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.47 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 1.0 OUTLIER -66.34 -60.46 6.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.723 0.773 . . . . 0.0 110.908 -179.869 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 112' ' ' SER . 53.8 Cg_endo -69.8 -165.54 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.67 2.247 . . . . 0.0 112.363 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.74 -37.11 4.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -134.37 62.75 57.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.617 0.722 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 138.24 37.37 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 175.25 8.4 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.642 2.228 . . . . 0.0 112.346 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.6 p -132.4 149.24 52.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -149.73 141.42 23.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 ptt-85 -80.67 170.5 16.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -154.72 -157.01 7.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.4 p -127.14 171.08 11.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.764 0.316 . . . . 0.0 111.18 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 124' ' ' SER . 14.6 p -104.71 154.78 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.446 ' N ' HG22 ' A' ' 123' ' ' VAL . 61.2 m -51.43 -59.9 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.802 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.05 84.33 0.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 123.29 9.97 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 28.2 t -169.15 114.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.1 t -95.59 146.51 24.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -161.36 164.15 30.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -129.5 124.37 33.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.24 91.3 1.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -87.23 -41.28 13.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.848 0.356 . . . . 0.0 110.817 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -101.1 128.81 47.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.39 -99.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.522 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.12 139.61 5.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.0 p -129.78 152.24 49.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 110.888 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.22 91.2 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.4 p -126.5 -55.01 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.2 m -103.22 66.16 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.52 -32.63 72.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 6.8 m-85 -112.75 162.31 15.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -125.96 128.65 47.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.41 HG21 ' N ' ' A' ' 17' ' ' TYR . 59.6 m -97.14 142.85 28.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.185 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.41 ' N ' HG21 ' A' ' 16' ' ' THR . 23.2 p90 -140.97 145.08 35.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.956 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -95.57 131.3 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.436 ' CG1' ' ND2' ' A' ' 62' ' ' ASN . 2.8 t -119.39 115.82 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.498 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 7.1 tt0 -93.52 104.27 16.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.434 HD11 ' CD1' ' A' ' 65' ' ' ILE . 69.8 mt -89.82 152.15 21.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.02 134.4 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -105.44 102.65 12.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -53.03 177.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.1 75.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.26 -43.74 1.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -51.13 142.69 12.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.799 0.333 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.1 m -108.09 170.81 7.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -50.4 -67.63 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.413 ' C ' HD13 ' A' ' 54' ' ' ILE . . . 80.62 54.72 3.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.446 ' CD1' ' HB1' ' A' ' 59' ' ' ALA . 38.5 mt -133.84 115.0 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 111.106 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.423 ' NH1' HD11 ' A' ' 54' ' ' ILE . 15.1 mmp_? -83.95 143.57 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.7 pt -126.35 169.97 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -152.77 147.45 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' N ' HD22 ' A' ' 84' ' ' ASN . . . -97.58 104.29 2.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -85.17 144.22 28.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.901 0.381 . . . . 0.0 110.922 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -116.59 -36.54 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.14 156.8 19.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.0 t -112.64 47.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.337 . . . . 0.0 111.143 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.4 m -169.03 169.83 9.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -93.24 -34.27 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.5 p -129.31 164.03 24.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 44.68 66.93 1.26 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 38.7 tp10 -156.46 155.75 32.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.46 ' N ' ' HG3' ' A' ' 44' ' ' GLU . . . -82.44 120.62 25.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 p -146.43 122.36 10.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.786 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.14 -131.87 3.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.4 mm -123.35 123.71 68.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.554 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 69.3 m-85 -126.55 147.59 49.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 66.7 t -67.01 109.58 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -73.87 -38.66 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 m -164.59 167.36 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.442 ' CG2' ' HA ' ' A' ' 66' ' ' GLN . 96.9 t -133.78 112.26 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.161 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.423 HD11 ' NH1' ' A' ' 32' ' ' ARG . 5.3 mp -58.72 127.06 82.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.706 . . . . 0.0 111.182 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 152.95 69.62 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.58 24.42 75.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.3 p -114.85 -176.06 2.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.3 -50.76 62.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.446 ' HB1' ' CD1' ' A' ' 31' ' ' ILE . . . -60.6 -51.54 68.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -57.92 -44.93 87.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -60.19 -46.71 88.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.436 ' ND2' ' CG1' ' A' ' 19' ' ' VAL . 24.3 t30 -54.92 -57.15 12.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.59 31.27 22.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -122.1 -29.78 4.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.434 ' CD1' HD11 ' A' ' 21' ' ' LEU . 11.6 mt -114.72 109.08 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.442 ' HA ' ' CG2' ' A' ' 53' ' ' VAL . 0.7 OUTLIER -145.09 -178.32 5.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.2 m -48.71 162.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 64.68 38.16 7.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -132.93 146.95 52.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.554 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 2.9 ttpt -115.09 119.72 37.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.424 ' CG1' HD12 ' A' ' 100' ' ' LEU . 5.3 mp -92.53 126.16 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.165 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.403 ' CG2' HG23 ' A' ' 101' ' ' THR . 2.6 m -103.42 -26.9 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -155.94 139.89 16.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.464 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 95.2 t -110.87 116.55 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.464 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 1.5 p30 52.8 27.41 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.69 -22.48 32.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.5 t -73.58 108.43 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -66.12 87.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.7 pt -85.33 26.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -74.8 51.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 153.55 31.71 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -104.53 160.84 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -82.47 143.98 30.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.479 HD22 ' N ' ' A' ' 35' ' ' GLY . 5.1 m120 -33.73 -61.63 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -61.85 -39.91 93.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 83' ' ' ALA . 70.5 m-20 -57.25 -31.68 65.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.4 t -78.77 -31.09 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.7 t -60.42 -49.95 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 6.9 pt-20 -59.38 -34.31 72.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.444 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 92.0 t -59.48 -43.51 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.2 mt -64.28 -47.03 81.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 46.5 mtp85 -61.0 -40.93 95.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -62.01 -37.45 84.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.78 148.03 13.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.05 -155.05 30.78 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -54.09 -60.99 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 70.0 t -71.9 99.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.48 105.8 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.498 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 14.3 m80 -91.75 96.41 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.466 HD11 ' N ' ' A' ' 101' ' ' THR . 0.2 OUTLIER -79.64 131.94 36.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.466 ' N ' HD11 ' A' ' 100' ' ' LEU . 2.6 m -105.79 102.98 12.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.43 161.44 19.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.449 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.1 p -137.62 121.22 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -109.58 155.58 21.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.572 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 3.4 ttm180 -75.46 127.18 32.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 107' ' ' THR . 3.5 mtpm? -80.38 -60.83 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' LYS . 23.6 p -33.47 147.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.6 t -65.83 -177.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.2 t -79.07 45.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 t 72.13 26.02 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 61.1 p -103.97 -5.62 22.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.8 m -82.46 153.77 68.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.629 0.728 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -163.81 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.676 2.25 . . . . 0.0 112.338 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -77.89 -33.67 51.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -134.84 74.37 64.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.612 0.72 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 115.85 4.29 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.297 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 85.0 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.359 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 72.8 m -114.43 -63.7 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -104.08 156.91 17.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -100.55 87.86 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -146.97 158.02 27.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.1 t -142.93 118.94 10.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 111.151 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.3 t -136.84 131.9 47.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 63.2 p -77.5 140.96 39.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 162.65 131.78 1.26 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -176.05 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 79.7 p -94.46 173.69 7.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 88.7 p -170.43 166.95 8.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.447 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 p -111.02 150.02 29.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.888 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 m -155.83 165.35 36.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.59 137.34 10.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -141.17 170.74 15.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.353 . . . . 0.0 110.87 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 m -138.14 139.5 39.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.85 -168.15 11.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.7 -84.67 0.33 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.49 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.3 p -42.01 137.66 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.865 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.86 42.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 t -68.8 -70.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 p -100.24 94.33 6.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.435 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 14.5 mt -92.23 -25.89 18.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.473 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 22.7 m-85 -108.25 152.21 24.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -125.62 138.7 53.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.4 m -100.53 146.23 27.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -150.14 153.68 36.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -103.38 131.66 50.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.465 HG23 ' CD1' ' A' ' 102' ' ' LEU . 1.8 t -116.38 113.39 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.475 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 22.8 tt0 -86.08 112.01 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.438 HD13 ' CD1' ' A' ' 65' ' ' ILE . 85.4 mt -94.99 149.76 20.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.438 ' O ' ' CG1' ' A' ' 22' ' ' VAL . 4.2 p -110.38 122.97 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -92.46 92.47 8.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -54.1 163.11 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -41.53 97.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.0 44.36 61.6 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.425 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -103.33 135.16 45.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.3 m -96.85 138.06 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.9 tp -39.29 -68.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.405 ' C ' HD12 ' A' ' 54' ' ' ILE . . . 82.09 50.79 4.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.4 mt -129.02 108.16 16.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.855 0.359 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -81.02 124.82 29.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.8 pt -106.84 170.06 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -148.79 147.09 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.41 96.94 1.4 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -74.62 149.57 39.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.931 0.396 . . . . 0.0 110.898 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.3 t -130.03 -29.88 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.3 77.88 0.53 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -101.8 -38.27 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.752 0.311 . . . . 0.0 111.113 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.4 t -120.01 -43.0 2.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -53.17 152.45 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.6 p -111.83 135.15 52.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 44' ' ' GLU . . . 123.88 40.9 0.43 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.455 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 43' ' ' GLY . 10.7 mm-40 33.55 46.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.12 102.88 5.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.7 p -156.23 130.91 8.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 145.76 -173.24 26.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.3 mm -92.94 122.59 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.541 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 3.1 m-85 -131.03 156.25 45.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.73 112.78 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -78.08 -38.29 44.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 m -163.59 169.29 18.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.1 t -136.52 119.86 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.405 HD12 ' C ' ' A' ' 30' ' ' GLY . 4.6 mp -69.65 129.34 91.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.739 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 139.99 41.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.82 17.93 64.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 p -109.36 174.23 5.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.68 84.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.84 -44.57 96.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -65.87 -46.82 76.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -53.98 -44.37 70.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -56.52 -75.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.78 16.64 11.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -114.8 -25.72 8.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.438 ' CD1' HD13 ' A' ' 21' ' ' LEU . 13.9 mt -110.53 110.93 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -151.88 -178.74 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.3 m -51.45 162.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 66.76 35.96 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.53 136.85 39.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.541 ' CG ' ' CZ ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -102.99 131.0 50.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.1 mp -100.24 133.86 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.7 m -111.02 -31.64 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.37 139.63 18.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.463 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 87.5 t -110.67 120.67 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.463 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 1.5 p30 52.8 27.82 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.18 -21.07 42.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.5 t -74.76 119.87 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 111.128 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -72.9 95.84 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.516 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.6 pt -89.76 15.94 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -59.29 90.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.94 -19.7 15.27 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.516 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.9 m-85 -48.57 141.4 7.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.528 ' HB2' ' CE1' ' A' ' 85' ' ' HIS . . . -69.94 156.87 38.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -42.75 -49.9 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.528 ' CE1' ' HB2' ' A' ' 83' ' ' ALA . 18.4 p-80 -70.98 -44.74 65.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -52.31 -25.2 8.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 83.9 t -85.94 -35.54 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 79.0 t -58.89 -50.4 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -57.22 -42.45 81.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 80.5 t -52.98 -48.69 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.6 mt -58.04 -44.01 87.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.5 mtt-85 -62.07 -37.83 86.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -64.73 -39.08 93.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.21 158.84 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.47 -147.26 9.79 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -57.49 -56.35 22.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.8 t -81.18 104.71 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 94.5 t -119.82 109.15 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.475 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 20.9 m80 -94.5 99.45 11.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.409 ' CD1' ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -81.57 126.87 32.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.7 m -101.67 105.65 16.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.465 ' CD1' HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -119.52 164.38 15.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.5 p -138.4 114.22 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -110.8 159.58 17.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -74.34 117.67 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.435 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 24.1 mttt -52.95 174.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' SER . 28.0 m -49.21 -51.39 33.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 107' ' ' THR . 56.0 p 37.47 46.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.1 p -56.42 166.5 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 111' ' ' THR . 89.9 p -77.28 165.26 24.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 110' ' ' SER . 11.4 t 34.61 41.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 45.9 m -46.33 142.71 4.17 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.701 0.762 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -163.61 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.362 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.476 HD21 ' N ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -100.31 -15.3 18.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.476 ' N ' HD21 ' A' ' 114' ' ' LEU . 6.6 mm-40 -134.54 52.49 7.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.647 0.737 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 115' ' ' GLU . 54.0 Cg_endo -69.72 156.96 62.09 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.376 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 4.33 2.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.6 t -43.09 127.0 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -86.69 173.41 9.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -101.35 164.64 11.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -177.22 -170.97 40.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 59.3 p -74.72 174.07 9.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 111.124 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 14.9 p -97.77 154.47 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.9 p -155.95 128.75 7.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.31 113.32 4.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -42.62 3.22 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.239 . . . . 0.0 112.358 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.4 t 49.69 39.97 18.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.2 p -66.61 134.95 53.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -157.3 140.29 15.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 t -125.5 142.16 51.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.9 120.33 0.94 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -105.05 84.05 2.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -40.67 148.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.8 165.63 38.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.9 -179.05 35.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.8 p -53.05 158.73 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.839 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -67.65 82.24 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.2 t -103.39 -60.31 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 m -96.81 70.6 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.67 -34.0 77.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.437 ' CB ' ' CG2' ' A' ' 103' ' ' VAL . 14.4 m-85 -108.17 158.38 17.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -118.26 126.15 51.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.9 m -95.4 145.12 25.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -154.61 146.05 23.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.5 135.59 38.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.434 HG23 ' CD1' ' A' ' 102' ' ' LEU . 2.0 t -118.11 116.76 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.536 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 35.7 tt0 -92.32 89.81 6.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 65' ' ' ILE . 92.4 mt -72.84 142.95 47.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.6 p -108.7 135.69 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.107 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -105.25 113.13 26.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -57.65 179.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.33 79.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.13 40.92 2.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -120.21 162.37 19.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.1 m -114.98 170.88 8.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.809 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.9 tp -62.12 -66.29 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.435 ' HA3' ' CB ' ' A' ' 57' ' ' SER . . . 84.94 51.42 3.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.4 mt -131.53 113.86 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -86.92 125.97 34.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 pt -109.74 168.23 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 p -148.89 142.37 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.48 94.28 1.37 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -81.55 131.73 35.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.413 . . . . 0.0 110.888 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.0 t -104.72 -33.57 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.156 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.08 96.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 t -45.06 -35.34 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 111.142 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 41' ' ' HIS . 64.5 m -71.1 -34.33 71.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 40' ' ' SER . 12.9 p-80 41.76 39.24 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.2 p -134.83 82.15 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.77 32.6 66.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.507 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 45' ' ' ALA . 10.7 tt0 -122.49 164.78 17.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.887 0.375 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 44' ' ' GLU . . . -33.23 119.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.0 p -168.84 112.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.67 -130.99 3.11 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.5 mm -117.4 124.49 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.448 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 58.8 m-85 -130.34 145.92 51.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.7 t -69.33 94.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -57.87 -43.25 85.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -162.83 173.33 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.0 t -143.59 111.09 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.1 mp -52.65 124.5 34.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.678 0.752 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.595 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 53.9 Cg_endo -69.74 3.57 2.68 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -127.16 37.79 2.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.435 ' CB ' ' HA3' ' A' ' 30' ' ' GLY . 65.1 p -137.16 165.25 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.835 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 61' ' ' HIS . . . -49.51 -56.67 9.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.83 -33.65 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 55' ' ' PRO . 38.0 t80 -78.51 -36.82 44.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 58' ' ' ALA . 58.2 m-70 -69.12 -41.0 77.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.475 ' ND2' ' CD2' ' A' ' 64' ' ' HIS . 8.8 t30 -58.15 -48.34 80.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.87 35.72 34.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.475 ' CD2' ' ND2' ' A' ' 62' ' ' ASN . 76.2 m-70 -122.81 -39.02 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 21' ' ' LEU . 22.0 mt -98.9 118.16 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -143.22 167.87 21.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.4 m -48.68 169.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 62.21 35.9 15.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -136.11 131.63 35.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -95.97 135.4 37.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.6 mt -94.96 122.42 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.2 m -102.44 -26.9 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.37 145.32 20.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.8 t -127.9 117.77 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.32 40.52 31.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.54 29.19 60.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.8 t -123.25 107.01 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 111.138 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -63.86 92.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 81' ' ' GLY . 7.3 pt -87.67 9.72 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -55.02 84.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 116.31 19.81 5.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -87.09 164.93 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.927 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.8 154.97 21.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -45.29 -49.05 12.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -71.45 -45.74 61.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -50.14 -29.31 8.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.5 t -82.44 -40.38 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.6 t -55.87 -49.58 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -61.58 -40.27 94.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 78.1 t -54.51 -43.09 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 mt -66.75 -44.16 82.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -61.24 -43.44 98.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -59.83 -38.15 81.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.87 142.83 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.53 -158.48 34.65 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.449 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -47.75 -59.39 3.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.439 ' CG1' ' HG3' ' A' ' 20' ' ' GLU . 94.5 t -75.27 98.9 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 62.3 t -105.88 105.56 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 7.2 m170 -90.51 94.04 9.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.889 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 101' ' ' THR . 0.2 OUTLIER -86.12 128.51 34.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.43 ' N ' HD12 ' A' ' 100' ' ' LEU . 9.1 m -103.56 111.43 23.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.434 ' CD1' HG23 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -124.44 157.86 34.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.437 ' CG2' ' CB ' ' A' ' 14' ' ' PHE . 1.2 p -134.9 113.3 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -111.95 156.87 21.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 -65.76 131.65 46.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -75.11 177.23 6.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.66 -44.39 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.4 m -143.09 143.22 31.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.7 m -68.84 108.73 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.4 t -120.05 -54.88 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.6 m -151.42 126.34 9.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.7 t -71.09 142.25 87.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.651 0.738 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -173.26 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.662 2.241 . . . . 0.0 112.318 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 59.7 mt -94.15 -49.68 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -134.77 73.46 66.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.618 0.723 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 140.75 43.47 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.334 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 178.71 4.33 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.416 ' O ' ' CG ' ' A' ' 119' ' ' ASP . 63.4 p -113.98 115.63 27.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 118' ' ' SER . 7.9 m-20 -173.44 173.36 3.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -123.09 164.03 19.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -100.11 155.17 19.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 40.5 p -143.58 174.83 10.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 111.177 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.8 m -110.1 127.77 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.6 t -172.81 153.61 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -132.43 141.73 13.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -34.58 14.36 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.4 t 50.01 37.89 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.839 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 26.9 t -79.83 -45.6 18.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.532 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -76.37 103.64 6.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.908 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -131.09 154.6 48.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.813 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.1 94.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -60.89 97.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 110.845 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 t -103.09 81.2 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.18 -158.7 14.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.431 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.32 133.86 4.06 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 t -147.2 164.89 31.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -168.72 110.94 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' SER . 22.8 t -121.26 155.45 34.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 11' ' ' SER . 36.6 m 34.46 54.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.828 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.41 ' O ' ' CD ' ' A' ' 106' ' ' LYS . 5.1 mp -40.21 -31.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.463 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 31.5 m-85 -101.28 145.62 28.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -118.06 140.37 49.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -102.93 137.33 41.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -137.42 147.05 45.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -97.7 132.87 42.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.429 ' CG1' ' ND2' ' A' ' 62' ' ' ASN . 2.9 t -119.62 113.81 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 14.4 tt0 -88.29 110.02 20.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.425 HD12 ' CD1' ' A' ' 65' ' ' ILE . 72.8 mt -96.24 144.68 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -106.31 136.05 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -111.82 105.36 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.01 177.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -66.88 80.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.39 41.28 1.92 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -124.05 129.24 50.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 0.0 110.905 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.4 m -84.32 175.85 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.91 -69.58 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.439 ' CA ' HD12 ' A' ' 54' ' ' ILE . . . 89.37 43.7 5.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -127.02 114.02 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 111.115 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mmt-85 -90.14 137.59 32.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 pt -114.28 166.57 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.3 p -137.76 149.06 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.544 ' N ' HD22 ' A' ' 84' ' ' ASN . . . -102.43 105.62 2.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -92.18 152.47 19.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.918 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.408 HG21 ' N ' ' A' ' 38' ' ' GLY . 27.8 m -130.23 -30.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.408 ' N ' HG21 ' A' ' 37' ' ' VAL . . . 77.36 57.99 3.48 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.445 HG21 ' N ' ' A' ' 40' ' ' SER . 10.0 t -62.76 -44.07 97.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.445 ' N ' HG21 ' A' ' 39' ' ' THR . 1.3 t -55.18 151.17 9.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -92.06 33.97 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.8 p -138.81 135.16 34.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 44.86 80.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -46.89 107.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.8 99.92 6.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.4 p -137.23 135.11 36.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.62 -172.81 31.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.9 mm -97.93 121.59 48.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.379 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 20.8 m-85 -122.65 153.56 39.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 67.2 t -70.44 106.13 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -43.35 75.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 m -163.21 168.2 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.3 t -140.55 113.23 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.151 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.439 HD12 ' CA ' ' A' ' 30' ' ' GLY . 4.6 mp -56.59 135.09 77.58 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 111.092 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 162.61 41.4 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.529 ' HA2' ' CE1' ' A' ' 61' ' ' HIS . . . 53.2 30.65 39.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.495 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 19.2 p -115.14 -177.58 3.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.98 -48.72 72.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.072 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.91 -54.28 40.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -57.21 -55.35 35.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.529 ' CE1' ' HA2' ' A' ' 56' ' ' GLY . 22.3 m-70 -48.28 -52.53 20.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.877 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.429 ' ND2' ' CG1' ' A' ' 19' ' ' VAL . 19.9 t30 -49.82 -51.85 36.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.59 33.75 24.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.44 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -128.59 -30.13 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.743 0.306 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.425 ' CD1' HD12 ' A' ' 21' ' ' LEU . 11.4 mt -113.97 104.82 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -146.71 177.44 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.6 m -42.59 162.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 64.01 46.32 3.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -146.62 142.27 27.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 3.9 ttpp -107.25 125.27 50.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 53.9 mt -97.09 128.5 48.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.453 ' CG2' HG23 ' A' ' 101' ' ' THR . 5.2 m -106.4 -32.09 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.76 135.3 20.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.48 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 96.8 t -106.1 116.65 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.48 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 3.5 p30 50.48 35.42 11.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.11 -23.26 37.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.2 t -72.91 109.19 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -68.49 90.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.542 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 4.9 pt -82.48 19.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -58.08 90.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 100.51 28.98 6.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.542 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.2 m-85 -90.18 146.15 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.476 ' CB ' ' CE1' ' A' ' 85' ' ' HIS . . . -68.58 138.45 55.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.544 HD22 ' N ' ' A' ' 35' ' ' GLY . 5.9 m120 -33.62 -43.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.476 ' CE1' ' CB ' ' A' ' 83' ' ' ALA . 11.9 p-80 -73.91 -47.19 39.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' ALA . 1.4 m-20 -49.0 -37.6 20.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.0 t -70.9 -39.04 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 99.1 t -56.34 -54.67 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 8.7 pt-20 -58.3 -38.21 76.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.447 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 94.0 t -56.46 -42.65 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.6 mt -63.5 -47.99 79.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -57.76 -42.72 84.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -59.8 -40.68 89.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.15 151.52 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -109.67 -153.48 14.71 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.519 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -51.87 -61.21 2.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.6 t -77.08 99.99 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 88.4 t -113.83 107.98 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.437 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 11.2 m80 -91.57 99.3 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.14 129.68 34.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.453 HG23 ' CG2' ' A' ' 72' ' ' VAL . 10.3 m -105.52 109.36 21.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.75 162.01 20.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.7 p -139.39 108.52 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -108.47 164.73 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -72.43 131.82 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.41 ' CD ' ' O ' ' A' ' 13' ' ' LEU . 4.0 mtpm? -77.4 171.75 14.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.2 m -104.37 154.78 19.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.2 p -43.65 -52.82 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.2 t -47.33 143.14 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.3 t 57.34 42.94 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 13.0 t -71.11 154.29 41.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.08 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 46.5 t -43.67 143.76 1.54 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.665 0.745 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -176.0 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.724 2.283 . . . . 0.0 112.344 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 52.8 mt -70.12 -42.62 72.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -133.3 73.91 73.17 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.65 0.738 . . . . 0.0 110.827 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 167.17 25.27 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 133.68 26.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.341 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.0 m 58.86 48.23 11.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -83.67 152.34 24.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.8 ttp85 -170.3 153.15 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.521 ' O ' ' C ' ' A' ' 122' ' ' THR . . . 147.42 -50.77 0.58 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.521 ' C ' ' O ' ' A' ' 121' ' ' GLY . 9.0 t 26.28 47.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 111.093 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 121' ' ' GLY . 34.5 m -88.26 171.28 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.16 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.3 p -83.89 114.76 21.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -173.57 108.2 0.27 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -15.47 36.86 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.306 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 t -137.07 159.54 41.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.8 p -94.41 -61.42 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.488 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.816 0.341 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.442 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . 2.5 m-85 -100.72 171.69 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -130.11 129.82 44.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.9 m -94.55 144.82 25.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -148.36 147.45 29.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -98.49 138.76 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.646 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.5 t -123.85 114.27 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.712 ' HG3' HG13 ' A' ' 97' ' ' VAL . 15.0 tt0 -88.9 97.57 11.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.728 HD11 HD12 ' A' ' 65' ' ' ILE . 63.0 mt -85.56 147.93 26.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.8 p -111.4 134.73 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -105.22 104.95 14.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -50.63 175.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -67.05 83.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.08 40.52 2.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -120.4 160.14 23.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.7 p -111.38 178.56 4.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.705 ' CD2' HD22 ' A' ' 91' ' ' LEU . 10.1 tp -68.56 -52.67 29.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.43 43.76 29.69 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.547 HD11 ' HB2' ' A' ' 59' ' ' ALA . 89.1 mt -131.56 119.39 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 111.15 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -89.99 135.71 33.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.1 pt -114.28 160.24 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.5 p -133.81 141.75 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.68 ' N ' HD21 ' A' ' 84' ' ' ASN . . . -103.96 109.53 3.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.911 0.386 . . . . 0.0 110.935 -179.832 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.984 0.421 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.95 -178.59 20.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.516 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.1 mm -89.87 123.08 41.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.508 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 80.1 m-85 -127.26 150.79 49.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.587 HG23 HD11 ' A' ' 71' ' ' ILE . 97.0 t -72.23 95.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.14 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -58.57 -45.55 88.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.453 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 4.3 m -159.31 179.11 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.486 HG21 ' HA ' ' A' ' 66' ' ' GLN . 59.7 t -137.04 110.17 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.3 mp -60.22 128.17 87.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.651 0.739 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.9 66.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.653 2.236 . . . . 0.0 112.364 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.97 29.06 69.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.3 p -122.2 174.51 6.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.66 -55.82 19.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.547 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -52.18 -56.02 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -54.11 -51.26 64.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -55.41 -54.76 39.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -50.12 -53.81 24.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.55 29.73 35.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.646 ' HB2' HG11 ' A' ' 19' ' ' VAL . 14.1 m170 -115.62 -40.53 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.311 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.728 HD12 HD11 ' A' ' 21' ' ' LEU . 18.0 mt -97.67 122.42 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.486 ' HA ' HG21 ' A' ' 53' ' ' VAL . 16.3 mp0 -143.94 168.94 18.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 27.3 m -50.09 170.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 62.18 41.65 10.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -134.24 148.04 50.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.508 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.7 ttpt -109.56 111.24 22.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.587 HD11 HG23 ' A' ' 50' ' ' VAL . 5.3 mp -82.56 121.03 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 m -102.52 -22.88 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.43 144.14 13.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.597 HG11 HD23 ' A' ' 91' ' ' LEU . 84.1 t -115.42 115.83 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.48 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 2.4 p30 51.13 33.66 9.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.17 -22.73 38.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.453 HG21 HG13 ' A' ' 90' ' ' VAL . 95.7 t -69.76 109.65 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -68.98 86.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.534 HD11 HG22 ' A' ' 71' ' ' ILE . 6.6 pt -86.83 14.67 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' ILE . 66.6 mt-30 -37.59 -62.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.07 48.12 0.98 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.2 m-85 -101.7 168.26 9.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.39 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.76 153.05 22.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.683 ' O ' HG23 ' A' ' 88' ' ' VAL . 25.8 m120 -38.26 -54.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -63.26 -43.08 99.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.609 ' O ' HG23 ' A' ' 90' ' ' VAL . 11.5 t0 -60.66 -31.12 70.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 69.9 t -78.95 -35.6 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 84' ' ' ASN . 91.8 t -58.5 -53.13 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.03 -38.49 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 86' ' ' ASP . 74.1 t -58.54 -46.25 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.705 HD22 ' CD2' ' A' ' 29' ' ' LEU . 29.4 mt -59.2 -47.55 84.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -61.74 -40.94 96.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -64.04 -38.37 90.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.83 145.3 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.32 -157.51 32.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -51.39 -62.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.712 HG13 ' HG3' ' A' ' 20' ' ' GLU . 93.3 t -71.04 100.64 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 70.5 t -110.53 105.42 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 75' ' ' ASP . 13.0 m80 -90.55 93.29 9.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.583 HD13 ' H ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -78.18 135.5 37.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.583 ' H ' HD13 ' A' ' 100' ' ' LEU . 11.6 m -108.35 106.17 16.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.524 HD21 HG23 ' A' ' 65' ' ' ILE . 1.3 mp -116.92 158.75 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 14' ' ' PHE . 3.3 p -140.81 112.16 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -113.29 154.21 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -61.37 126.5 27.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.6 mttt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mm? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.848 0.356 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.49 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . 2.8 m-85 -104.53 170.91 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -126.7 130.88 51.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -96.76 135.32 38.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 102' ' ' LEU . 32.2 p90 -141.86 151.25 42.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.961 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -104.62 134.36 47.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.465 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.4 t -119.01 113.69 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.658 ' HG3' HG13 ' A' ' 97' ' ' VAL . 8.2 tt0 -85.42 103.03 13.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.782 HD11 ' CD1' ' A' ' 65' ' ' ILE . 48.0 mt -94.03 142.61 27.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 p -105.95 136.59 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -115.74 109.77 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -49.71 -179.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -72.29 83.02 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.828 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.87 35.64 2.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -120.08 136.66 54.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.1 p -83.84 156.79 22.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.567 ' CD2' HD22 ' A' ' 91' ' ' LEU . 15.1 tp -48.49 -52.85 20.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.422 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 82.89 51.41 4.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.412 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 86.0 mt -142.21 114.15 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 111.146 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -84.63 144.69 28.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.4 pt -121.19 170.95 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 p -155.25 141.89 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.75 131.31 10.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.938 0.399 . . . . 0.0 110.955 -179.849 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.5 p . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.939 0.4 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.28 174.39 16.5 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mm -85.4 128.57 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 111.142 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.514 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 91.2 m-85 -129.29 159.75 35.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.2 t -82.12 101.72 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -67.12 -35.5 79.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -164.58 174.68 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.0 t -134.19 95.49 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.0 mp -40.72 132.43 1.77 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.4 ' HD2' HG23 ' A' ' 54' ' ' ILE . 53.8 Cg_endo -69.75 160.9 48.0 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.723 2.282 . . . . 0.0 112.335 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 48.07 35.49 13.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.8 p -117.99 175.47 5.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.883 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.2 -56.73 17.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.412 ' HB2' ' CG1' ' A' ' 31' ' ' ILE . . . -51.43 -43.73 62.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -66.07 -47.49 74.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -56.43 -48.62 76.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -59.11 -47.05 86.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.33 34.42 54.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.465 ' HB2' HG11 ' A' ' 19' ' ' VAL . 6.7 m-70 -117.03 -39.59 3.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.782 ' CD1' HD11 ' A' ' 21' ' ' LEU . 20.5 mt -95.99 128.67 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -143.98 172.53 12.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.1 m -59.34 173.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 m120 62.8 35.23 13.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.51 152.38 50.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 4.5 ttpp -113.41 128.34 56.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.682 HG12 HD11 ' A' ' 100' ' ' LEU . 4.0 mp -96.79 128.87 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.9 m -107.93 -22.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.62 145.69 18.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.2 t -121.32 107.8 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.7 t70 63.83 31.03 14.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.87 -15.56 62.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.5 t -82.51 114.39 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -68.82 91.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.475 HD11 HG22 ' A' ' 71' ' ' ILE . 6.2 pt -85.12 16.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.47 96.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.07 -16.15 33.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -51.72 129.93 27.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.929 0.395 . . . . 0.0 110.848 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.696 ' HB3' ' OD2' ' A' ' 86' ' ' ASP . . . -62.95 157.93 20.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.578 ' O ' HG23 ' A' ' 88' ' ' VAL . 27.2 t-20 -39.48 -52.6 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -68.7 -48.83 62.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.7 ' O ' HG23 ' A' ' 90' ' ' VAL . 22.6 m-20 -46.02 -36.86 6.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.7 t -76.09 -37.38 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 84' ' ' ASN . 95.4 t -55.33 -56.77 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 9.7 pt-20 -53.13 -37.19 61.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 86' ' ' ASP . 93.3 t -57.57 -46.99 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.567 HD22 ' CD2' ' A' ' 29' ' ' LEU . 17.2 mt -60.41 -46.14 91.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -59.9 -40.25 88.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -63.52 -38.75 92.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.93 161.46 2.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.85 -149.13 9.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -58.07 -58.31 9.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.862 0.363 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.658 HG13 ' HG3' ' A' ' 20' ' ' GLU . 90.4 t -75.48 96.53 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.45 106.1 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 20.1 m80 -89.96 92.23 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.682 HD11 HG12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -75.8 127.46 33.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.416 ' N ' HD13 ' A' ' 100' ' ' LEU . 8.3 m -100.66 111.93 24.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 2.4 mp -119.49 155.28 32.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.49 ' CG2' ' HB2' ' A' ' 14' ' ' PHE . 2.1 p -133.74 107.21 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -107.56 154.73 20.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -67.47 132.46 47.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.0 mttm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.407 ' N ' HD22 ' A' ' 13' ' ' LEU . 3.9 mm? . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.854 0.359 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.403 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . 2.5 m-85 -100.82 173.55 6.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.432 ' HB3' ' CE ' ' A' ' 106' ' ' LYS . 2.2 pt-20 -135.82 129.71 32.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.1 m -94.32 139.84 30.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -144.3 145.04 31.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -95.1 136.25 35.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.537 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.9 t -121.94 115.47 46.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.442 ' O ' ' CD ' ' A' ' 20' ' ' GLU . 4.4 tm-20 -90.35 102.03 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.808 HD11 ' CD1' ' A' ' 65' ' ' ILE . 47.1 mt -92.41 137.63 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.6 131.7 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.186 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -99.1 106.97 19.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -57.87 169.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.74 85.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.88 44.13 5.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.466 ' HG2' ' N ' ' A' ' 28' ' ' SER . 40.8 tt0 -118.1 152.6 35.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.347 . . . . 0.0 110.907 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.466 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 65.2 m -102.26 152.07 21.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.543 ' CD2' HD22 ' A' ' 91' ' ' LEU . 12.1 tp -46.39 -61.18 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.64 47.34 4.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.55 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.495 HD12 ' CD2' ' A' ' 29' ' ' LEU . 80.8 mt -136.26 121.0 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.458 ' HG2' HD11 ' A' ' 54' ' ' ILE . 17.8 mmt180 -94.97 128.66 41.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.497 HD13 ' HB ' ' A' ' 87' ' ' VAL . 7.5 pt -106.31 173.75 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 p -152.14 147.46 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.58 106.99 3.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.914 -179.8 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.947 0.403 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.76 -164.14 34.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.411 ' CG2' ' HB ' ' A' ' 33' ' ' ILE . 17.7 mm -101.05 137.53 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.484 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 13.5 m-85 -137.34 146.94 45.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.762 HG23 HD11 ' A' ' 71' ' ' ILE . 87.6 t -69.21 101.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -68.1 -42.94 79.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.7 m -160.38 170.54 20.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.4 t -132.6 105.4 8.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.734 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.2 mp -51.6 130.43 35.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.659 0.742 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 156.01 64.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.7 28.59 63.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.5 p -115.03 170.85 8.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.32 -51.84 41.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.24 -53.69 55.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -53.13 -51.84 60.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -53.88 -53.09 57.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -49.77 -54.78 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.75 33.5 24.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.446 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.537 ' HB2' HG11 ' A' ' 19' ' ' VAL . 12.3 m-70 -118.68 -39.7 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.808 ' CD1' HD11 ' A' ' 21' ' ' LEU . 17.4 mt -93.48 125.97 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -143.17 167.13 22.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.5 m -56.82 171.68 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 64.66 40.24 5.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -133.38 157.06 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.484 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 18.0 ttpt -116.24 113.4 22.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.762 HD11 HG23 ' A' ' 50' ' ' VAL . 5.0 mp -83.84 121.07 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.1 m -105.51 -29.04 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.544 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -146.4 142.68 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.753 HG11 HD23 ' A' ' 91' ' ' LEU . 89.0 t -129.32 118.97 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.4 t70 63.63 35.91 11.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.96 25.33 69.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.7 t -124.86 116.69 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -62.88 96.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.624 HD11 HG22 ' A' ' 71' ' ' ILE . 6.6 pt -86.91 15.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.181 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -56.92 92.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.25 -25.54 7.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.496 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 7.0 m-85 -47.78 130.78 14.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.895 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.454 ' N ' ' HB2' ' A' ' 86' ' ' ASP . . . -67.88 166.38 15.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.4 ' O ' HD11 ' A' ' 33' ' ' ILE . 13.4 t-20 -42.66 -60.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -63.06 -45.41 92.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.758 ' O ' HG23 ' A' ' 90' ' ' VAL . 10.3 m-20 -48.79 -32.33 8.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.497 ' HB ' HD13 ' A' ' 33' ' ' ILE . 84.5 t -82.59 -39.09 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.2 t -57.05 -49.98 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -58.87 -39.43 81.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 86' ' ' ASP . 84.7 t -55.96 -42.7 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.753 HD23 HG11 ' A' ' 74' ' ' VAL . 21.8 mt -63.44 -47.7 80.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -59.48 -43.3 93.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -61.07 -40.01 92.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.22 157.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.37 -155.85 19.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -50.1 -61.38 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.407 HG13 ' HG2' ' A' ' 20' ' ' GLU . 89.5 t -73.6 95.42 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 96.1 t -104.8 100.03 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.413 ' NE2' ' HB2' ' A' ' 20' ' ' GLU . 6.1 m80 -86.74 99.93 12.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.486 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -85.63 132.52 34.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.544 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . 9.9 m -105.6 109.37 21.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.584 HD21 HG23 ' A' ' 65' ' ' ILE . 1.5 mp -120.35 158.38 27.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 103' ' ' VAL . 3.0 p -141.86 112.21 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -111.95 155.49 23.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -68.33 122.31 18.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.432 ' CE ' ' HB3' ' A' ' 15' ' ' GLU . 24.3 mttt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.3 mm? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.829 0.347 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -113.4 159.98 18.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -119.28 133.56 55.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.2 m -98.95 142.98 29.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.402 ' CE2' HD13 ' A' ' 102' ' ' LEU . 30.8 p90 -144.31 144.74 31.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -96.5 133.07 41.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.568 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.5 t -119.37 113.21 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -88.28 93.92 9.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.789 HD11 ' CD1' ' A' ' 65' ' ' ILE . 52.7 mt -83.37 142.47 31.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.7 p -108.3 140.66 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -107.89 105.85 15.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -53.48 173.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -60.96 89.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.08 42.25 4.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.456 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -119.25 159.74 23.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.0 p -113.07 179.73 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.425 ' CD2' HD22 ' A' ' 91' ' ' LEU . 9.2 tp -74.74 -50.93 15.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.62 44.77 62.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.528 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.595 HD11 ' HB2' ' A' ' 59' ' ' ALA . 88.6 mt -129.03 99.54 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.106 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.552 ' HG2' HD11 ' A' ' 54' ' ' ILE . 30.1 mmt180 -72.57 133.38 44.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.9 pt -109.53 162.84 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 p -135.86 142.97 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.88 109.2 3.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.821 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.12 -161.67 25.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.412 ' C ' ' CD1' ' A' ' 49' ' ' TYR . 28.0 mm -98.92 140.62 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.554 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 15.7 m-85 -142.77 159.77 41.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.603 HG23 HD11 ' A' ' 71' ' ' ILE . 79.0 t -78.01 105.82 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -69.5 -47.96 62.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.9 p -147.83 167.68 24.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.553 HG21 ' HA ' ' A' ' 66' ' ' GLN . 98.0 t -132.98 86.12 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.802 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.8 mp -47.77 131.92 11.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 164.1 35.85 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.13 18.23 47.83 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 p -110.88 161.06 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.92 0.391 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.01 -47.37 11.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.595 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -57.91 -58.67 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -54.58 -55.48 28.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -50.15 -54.46 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -52.36 -45.86 65.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.12 35.31 53.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.568 ' HB2' HG11 ' A' ' 19' ' ' VAL . 79.8 m80 -120.46 -38.9 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 110.823 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.789 ' CD1' HD11 ' A' ' 21' ' ' LEU . 20.2 mt -97.65 122.81 49.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.553 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -140.88 166.35 25.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.0 m -52.6 172.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 59.77 33.81 21.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.83 147.37 47.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.554 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.8 ttpt -108.66 120.06 41.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.603 HD11 HG23 ' A' ' 50' ' ' VAL . 3.8 mp -92.35 124.19 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.6 m -105.0 -22.09 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.458 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -156.76 141.18 16.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.814 HG11 HD23 ' A' ' 91' ' ' LEU . 99.8 t -124.33 123.99 67.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.442 ' OD2' ' HB1' ' A' ' 94' ' ' ALA . 2.0 t70 62.73 30.25 16.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.33 20.84 65.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 81.5 t -120.31 121.58 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.377 . . . . 0.0 111.094 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -65.8 94.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.9 pt -90.05 17.77 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -59.92 90.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.4 -15.92 9.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -54.01 133.24 43.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.48 ' N ' ' HB2' ' A' ' 86' ' ' ASP . . . -66.6 159.58 27.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.578 ' O ' HG23 ' A' ' 88' ' ' VAL . 24.4 t-20 -39.69 -54.36 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -68.25 -45.34 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.78 ' O ' HG23 ' A' ' 90' ' ' VAL . 4.0 m-20 -49.35 -33.24 13.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.92 -39.65 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 84' ' ' ASN . 99.3 t -56.23 -49.84 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 14.0 pt-20 -59.82 -37.55 79.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 86' ' ' ASP . 97.2 t -57.86 -45.42 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.814 HD23 HG11 ' A' ' 74' ' ' VAL . 13.7 mt -63.5 -46.74 84.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -61.31 -40.96 96.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -62.28 -38.18 88.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.476 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -56.65 152.6 11.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.436 ' O ' HG23 ' A' ' 98' ' ' VAL . . . -101.72 -150.5 23.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.457 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -54.06 -59.68 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.925 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.62 96.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.476 HG22 ' HB1' ' A' ' 94' ' ' ALA . 74.7 t -109.53 100.02 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 75' ' ' ASP . 11.4 m80 -84.74 103.61 13.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.452 HD13 ' N ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -88.07 131.66 34.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.458 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . 6.6 m -106.96 111.2 23.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.18 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.501 HD21 HG12 ' A' ' 65' ' ' ILE . 1.1 mp -119.38 159.63 23.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.01 111.76 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -113.33 160.4 18.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -66.09 132.12 47.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.859 0.361 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 11.7 m-85 -118.11 151.47 37.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -117.26 141.45 48.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.7 m -109.4 144.84 37.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -155.5 151.22 27.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.05 135.0 43.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.464 ' HB ' HD11 ' A' ' 65' ' ' ILE . 2.2 t -113.9 117.87 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.795 ' HG3' HG13 ' A' ' 97' ' ' VAL . 18.3 tt0 -92.68 90.12 6.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.769 HD11 HD12 ' A' ' 65' ' ' ILE . 79.7 mt -78.18 147.66 34.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -111.49 132.01 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -111.06 107.21 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -52.04 -178.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -72.25 82.26 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.99 -43.21 1.39 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -52.65 139.99 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.339 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 m -101.44 159.78 14.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 tp -37.76 -69.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.541 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 89.68 55.33 2.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.445 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' ' 59' ' ' ALA . 66.1 mt -143.4 126.07 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.347 . . . . 0.0 111.072 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -99.98 138.65 36.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.0 pt -117.2 164.01 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.08 160.03 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -117.33 85.79 0.4 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.942 0.401 . . . . 0.0 110.923 -179.77 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.9 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.885 0.374 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.33 -153.05 23.56 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.3 mm -102.04 124.16 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 76.3 m-85 -130.1 145.89 51.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.558 HG23 HD11 ' A' ' 71' ' ' ILE . 55.2 t -66.36 104.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -67.71 -38.23 83.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -165.41 175.96 8.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.718 HG21 ' HA ' ' A' ' 66' ' ' GLN . 90.5 t -143.35 114.14 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.735 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.4 mp -57.93 132.55 83.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HD2' HG23 ' A' ' 54' ' ' ILE . 53.5 Cg_endo -69.75 157.82 59.07 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.356 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.54 32.08 68.18 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.1 p -118.92 -176.35 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.361 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.67 -52.61 35.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.136 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.623 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -57.48 -46.67 83.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -63.33 -55.97 20.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -50.29 -56.16 12.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -47.64 -46.77 29.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.33 34.45 50.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -123.44 -32.06 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.786 0.327 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.769 HD12 HD11 ' A' ' 21' ' ' LEU . 21.1 mt -111.96 102.12 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.718 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -140.64 175.74 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.7 m -42.31 164.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 60.6 45.99 9.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -138.42 135.8 35.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 4.0 ttpt -102.72 114.45 28.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.558 HD11 HG23 ' A' ' 50' ' ' VAL . 5.1 mp -86.44 124.14 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.3 m -104.77 -22.23 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.569 ' HB3' ' HB ' ' A' ' 101' ' ' THR . . . -158.75 151.4 21.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.404 HG11 HD23 ' A' ' 91' ' ' LEU . 98.1 t -131.86 119.48 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.544 ' OD1' HG13 ' A' ' 98' ' ' VAL . 0.7 OUTLIER 59.94 36.34 21.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.23 26.62 61.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.7 t -124.39 118.35 53.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.847 0.356 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -66.32 96.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.439 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 5.9 pt -92.61 18.19 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -59.33 93.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.18 -19.57 13.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.4 m-85 -47.7 134.07 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -71.04 153.14 42.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.632 ' O ' HG23 ' A' ' 88' ' ' VAL . 20.6 t-20 -34.44 -57.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -64.81 -46.79 80.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.502 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.3 m-20 -51.56 -32.81 29.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' ' 82' ' ' PHE . 77.8 t -81.64 -33.59 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 84' ' ' ASN . 72.9 t -58.81 -51.53 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.42 -41.54 72.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 86' ' ' ASP . 91.5 t -55.99 -39.93 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.404 HD23 HG11 ' A' ' 74' ' ' VAL . 34.4 mt -65.88 -47.03 76.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -58.05 -43.45 86.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -58.9 -36.35 74.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.84 145.37 55.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -104.64 -150.07 20.12 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -48.81 -60.9 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.795 HG13 ' HG3' ' A' ' 20' ' ' GLU . 81.9 t -73.59 101.54 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.544 HG13 ' OD1' ' A' ' 75' ' ' ASP . 65.6 t -110.98 104.35 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 11.2 m80 -89.39 92.42 9.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.56 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -83.41 132.63 34.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.569 ' HB ' ' HB3' ' A' ' 73' ' ' ALA . 15.7 m -106.78 110.29 22.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.56 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -122.39 165.08 16.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.6 p -139.7 106.56 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -104.45 160.35 14.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -71.16 126.48 29.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.456 ' HD2' ' C ' ' A' ' 14' ' ' PHE . 14.2 mtpt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.45 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 21.2 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.878 0.371 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.658 ' HB3' HG22 ' A' ' 103' ' ' VAL . 8.9 m-85 -111.15 157.62 19.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -124.02 131.66 53.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.3 m -97.06 144.19 27.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.409 ' CE1' ' NE ' ' A' ' 104' ' ' ARG . 48.3 p90 -151.18 153.65 35.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.03 132.03 51.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.552 ' HB ' HD11 ' A' ' 65' ' ' ILE . 2.0 t -113.14 109.91 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.893 ' HG3' HG13 ' A' ' 97' ' ' VAL . 32.4 tt0 -86.96 88.58 7.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.962 HD11 HD12 ' A' ' 65' ' ' ILE . 47.3 mt -79.85 137.23 36.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -102.09 132.22 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -101.57 99.54 9.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -50.87 179.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -60.86 89.85 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.9 -39.49 2.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.518 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -48.86 119.56 3.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.5 m -86.44 173.0 9.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 tp -56.53 -65.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.04 55.47 3.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 59' ' ' ALA . 83.5 mt -137.16 120.3 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 111.129 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -96.13 139.0 32.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.6 pt -117.96 173.14 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 p -152.03 149.47 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.444 ' N ' HD21 ' A' ' 84' ' ' ASN . . . -102.7 115.28 5.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.946 0.403 . . . . 0.0 110.884 -179.793 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.9 p . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.923 0.392 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.25 -169.65 42.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.7 mm -99.96 122.16 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.161 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.522 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 37.1 m-85 -129.06 148.67 51.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.5 t -63.9 120.18 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -78.83 -40.54 32.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.437 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 1.8 m -167.74 169.46 11.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.553 HG21 ' HA ' ' A' ' 66' ' ' GLN . 17.4 t -130.19 129.56 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.537 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.3 mp -75.86 124.93 88.76 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.719 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 121.87 8.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.0 16.57 18.69 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.7 p -112.82 176.18 5.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 0.0 110.893 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.94 -46.95 87.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.07 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.585 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -58.5 -32.88 69.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -82.17 -18.96 40.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.979 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -77.32 -46.29 23.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.42 -40.22 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.72 18.73 78.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.41 ' CA ' HE22 ' A' ' 66' ' ' GLN . 11.5 m80 -106.04 -15.5 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.962 HD12 HD11 ' A' ' 21' ' ' LEU . 38.2 mt -122.24 95.11 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.553 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -134.93 177.91 7.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.437 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 16.3 m -50.36 165.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 64.94 38.37 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -130.93 157.53 42.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.522 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.8 ttpt -119.36 126.19 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.447 HG23 HD11 ' A' ' 100' ' ' LEU . 41.3 mt -94.36 123.87 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.528 ' CG2' HG22 ' A' ' 101' ' ' THR . 3.1 m -102.79 -34.12 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -150.84 149.81 30.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.781 HG11 HD23 ' A' ' 91' ' ' LEU . 48.3 t -132.41 110.09 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.06 39.03 13.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.6 24.6 67.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 79' ' ' ILE . 71.4 t -119.23 108.42 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.153 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -64.14 93.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 81' ' ' GLY . 6.5 pt -88.45 10.08 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -58.48 78.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 122.71 17.65 3.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -87.96 149.13 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -73.59 145.58 45.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.055 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' ALA . 4.5 m120 -34.52 -61.32 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -59.36 -45.02 92.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.669 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.6 m-20 -52.53 -29.35 24.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.3 t -83.39 -35.27 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 84' ' ' ASN . 75.3 t -60.71 -41.71 89.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 4.4 pt-20 -68.26 -31.64 71.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 86' ' ' ASP . 93.7 t -65.66 -46.13 90.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.781 HD23 HG11 ' A' ' 74' ' ' VAL . 15.2 mt -62.12 -42.56 99.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -64.82 -37.81 88.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 89' ' ' GLU . 28.6 m-80 -63.65 -32.82 74.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.22 148.53 36.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.51 -158.66 28.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -43.81 -61.04 1.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.893 HG13 ' HG3' ' A' ' 20' ' ' GLU . 90.9 t -73.94 96.55 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 56.4 t -102.72 97.23 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 5.2 m80 -82.04 94.78 7.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.515 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -85.68 125.59 33.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.528 HG22 ' CG2' ' A' ' 72' ' ' VAL . 6.5 m -102.48 116.38 32.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -135.37 160.08 39.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.658 HG22 ' HB3' ' A' ' 14' ' ' PHE . 2.5 p -132.66 121.28 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.409 ' NE ' ' CE1' ' A' ' 17' ' ' TYR . 70.1 mtm180 -108.01 155.45 20.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.491 ' HD2' ' CE2' ' A' ' 14' ' ' PHE . 37.9 ttt180 -78.47 120.89 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.45 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 8.9 mttm . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.436 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.8 mm? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.851 0.357 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.483 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 9.5 m-85 -111.78 167.86 10.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -131.7 121.11 23.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 85.6 m -83.82 127.87 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 102' ' ' LEU . 25.2 p90 -131.0 147.29 52.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.82 142.85 33.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' A' ' 64' ' ' HIS . 1.3 t -125.37 109.53 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.613 ' HG3' HG13 ' A' ' 97' ' ' VAL . 27.5 tt0 -86.47 91.19 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.477 HD11 HD12 ' A' ' 65' ' ' ILE . 59.5 mt -78.86 154.61 29.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 22' ' ' VAL . 9.2 p -116.59 129.43 73.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -99.09 104.62 16.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.443 ' N ' ' HB3' ' A' ' 27' ' ' GLN . 52.4 mttt -59.72 -179.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.61 89.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 79.18 36.28 27.95 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.443 ' HB3' ' N ' ' A' ' 24' ' ' LYS . 6.5 tp60 -103.31 122.37 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.93 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 m -80.43 168.71 18.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.579 ' CD2' HD22 ' A' ' 91' ' ' LEU . 11.1 tp -61.8 -62.89 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.11 48.34 5.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.527 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.7 mt -131.62 110.71 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.345 . . . . 0.0 111.113 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.519 ' HG2' HD11 ' A' ' 54' ' ' ILE . 16.2 mmm180 -84.68 131.26 34.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.5 pt -110.85 175.96 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.3 p -156.76 143.44 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.45 115.4 4.71 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.926 0.393 . . . . 0.0 110.924 -179.812 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.53 -171.01 31.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 mm -96.96 123.49 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.442 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 81.1 m-85 -123.67 153.64 40.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.2 t -75.92 105.56 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -70.01 -41.85 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -159.2 169.73 23.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.51 HG21 ' HA ' ' A' ' 66' ' ' GLN . 53.8 t -131.59 98.97 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.6 mp -52.31 123.06 27.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.63 0.728 . . . . 0.0 111.128 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 154.54 67.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.33 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.19 14.43 80.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 p -112.11 179.15 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.841 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.02 79.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.46 -47.6 78.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -67.8 -41.48 83.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -59.02 -47.07 86.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -58.42 -57.95 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.52 28.84 18.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.503 ' HB2' HG11 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -116.83 -40.57 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.477 HD12 HD11 ' A' ' 21' ' ' LEU . 22.2 mt -95.28 114.52 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.51 ' HA ' HG21 ' A' ' 53' ' ' VAL . 2.9 mp0 -130.45 -175.1 3.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 33.1 m -67.42 174.37 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 57.85 29.87 18.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -120.03 146.78 45.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 11.1 ttpt -107.56 145.83 32.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.605 ' CG2' HD11 ' A' ' 79' ' ' ILE . 4.1 mp -111.71 145.33 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 m -124.4 -27.2 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.33 147.7 24.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.599 HG11 HD23 ' A' ' 91' ' ' LEU . 86.7 t -130.09 116.07 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.7 t70 63.31 28.61 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.34 10.14 68.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.9 t -108.74 120.13 59.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -68.97 91.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.605 HD11 ' CG2' ' A' ' 71' ' ' ILE . 8.0 pt -83.42 14.94 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -58.8 96.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.01 -10.28 31.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 4.1 m-85 -62.0 132.68 53.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.82 151.99 32.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 88' ' ' VAL . 5.2 m120 -38.65 -50.78 1.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 86' ' ' ASP . 12.9 p-80 -69.8 -45.14 68.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.655 ' O ' HG23 ' A' ' 90' ' ' VAL . 32.1 m-20 -50.94 -31.14 16.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.5 t -80.35 -38.43 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 84' ' ' ASN . 75.6 t -54.27 -55.46 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 5.9 pt-20 -53.6 -34.91 60.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 86' ' ' ASP . 59.0 t -61.59 -44.39 98.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.599 HD23 HG11 ' A' ' 74' ' ' VAL . 18.1 mt -60.95 -43.0 99.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -63.18 -40.13 96.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -62.38 -37.69 86.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.12 147.53 24.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.39 -153.92 30.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -52.23 -58.98 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.613 HG13 ' HG3' ' A' ' 20' ' ' GLU . 85.7 t -73.7 102.02 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 55.0 t -108.02 108.01 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -92.13 99.51 12.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.615 HD12 ' CD1' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -90.22 115.57 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.0 m -91.44 114.25 26.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.615 ' CD1' HD12 ' A' ' 100' ' ' LEU . 2.1 mp -122.77 156.95 33.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 2.9 p -119.64 116.95 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -98.84 160.94 13.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -91.89 117.1 29.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.2 mttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.655 HD22 ' N ' ' A' ' 13' ' ' LEU . 1.4 mm? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.467 ' HB3' HG22 ' A' ' 103' ' ' VAL . 12.0 m-85 -106.14 172.85 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -136.2 126.63 26.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -96.16 136.66 36.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 102' ' ' LEU . 27.0 p90 -139.49 143.32 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -96.01 131.15 42.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.513 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.5 t -118.75 115.1 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.512 ' HG3' HG13 ' A' ' 97' ' ' VAL . 11.3 tt0 -90.92 98.07 11.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.923 HD11 ' CD1' ' A' ' 65' ' ' ILE . 59.1 mt -88.28 140.43 29.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.4 p -105.64 145.19 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -111.9 100.87 9.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -47.86 175.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -56.88 95.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.48 39.93 29.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.455 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -111.47 145.59 38.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.5 m -92.88 -179.23 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.559 ' CD2' HD22 ' A' ' 91' ' ' LEU . 10.0 tp -74.57 -69.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.11 47.1 3.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.7 mt -128.31 118.81 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.115 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.442 ' HG2' HD11 ' A' ' 54' ' ' ILE . 12.9 mmm180 -90.95 126.98 36.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.3 pt -110.71 169.95 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -151.9 140.75 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.0 99.52 1.54 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.924 0.392 . . . . 0.0 110.885 -179.78 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.927 0.394 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.86 -172.82 21.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.7 mm -94.51 124.76 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.533 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 96.7 m-85 -129.67 147.58 51.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.1 t -70.87 94.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -58.47 -42.46 87.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 m -161.28 172.75 16.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 66' ' ' GLN . 97.2 t -130.08 105.73 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.461 ' H ' HD12 ' A' ' 54' ' ' ILE . 3.6 mp -57.55 130.22 81.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.613 0.72 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 160.05 51.18 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.332 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.14 27.84 60.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 p -121.87 162.21 21.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -43.72 -55.66 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.31 -53.49 17.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -59.71 -46.08 90.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -50.35 -60.32 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -34.33 71.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.03 34.16 88.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.513 ' HB2' HG11 ' A' ' 19' ' ' VAL . 19.2 m80 -111.01 -39.25 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.318 . . . . 0.0 110.803 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.923 ' CD1' HD11 ' A' ' 21' ' ' LEU . 17.1 mt -93.26 107.34 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.432 ' HA ' HG21 ' A' ' 53' ' ' VAL . 14.4 mp0 -126.7 170.37 12.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.4 m -55.27 174.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 61.11 34.61 18.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -128.13 146.49 50.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.533 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 2.4 ttpt -107.45 115.2 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.575 HG23 HD11 ' A' ' 100' ' ' LEU . 18.7 mt -82.88 124.11 39.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.9 m -108.98 -24.9 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' A' ' 101' ' ' THR . . . -154.46 144.22 21.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.613 HG11 HD23 ' A' ' 91' ' ' LEU . 61.5 t -127.5 118.71 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 t70 61.25 33.97 18.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.32 23.24 63.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.442 ' O ' HG23 ' A' ' 79' ' ' ILE . 73.0 t -120.3 113.91 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.843 0.354 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -62.26 88.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.557 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.6 pt -84.34 17.04 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -58.16 96.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.41 -18.23 20.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 5.8 m-85 -51.9 129.8 27.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -65.64 154.68 38.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 83' ' ' ALA . 13.1 t-20 -34.57 -69.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -56.58 -38.36 71.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -57.02 -29.16 63.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.0 t -84.53 -37.61 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.491 ' HA ' HD12 ' A' ' 91' ' ' LEU . 90.9 t -56.88 -51.95 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -53.71 -41.8 67.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.73 -43.23 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.613 HD23 HG11 ' A' ' 74' ' ' VAL . 14.5 mt -63.34 -47.98 79.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -58.24 -43.36 87.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -61.18 -39.51 90.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.629 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -46.25 149.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.14 -148.64 22.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -59.31 -58.12 10.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.512 HG13 ' HG3' ' A' ' 20' ' ' GLU . 90.4 t -78.13 98.68 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.629 HG22 ' HB1' ' A' ' 94' ' ' ALA . 98.8 t -109.22 102.47 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.409 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 11.8 m80 -89.04 102.59 15.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.575 HD11 HG23 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -88.55 135.38 33.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.546 ' HB ' ' HB3' ' A' ' 73' ' ' ALA . 26.5 m -109.76 106.22 15.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.579 HD21 HG23 ' A' ' 65' ' ' ILE . 0.7 OUTLIER -117.43 158.49 24.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.467 HG22 ' HB3' ' A' ' 14' ' ' PHE . 2.6 p -141.54 109.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -107.34 152.66 23.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.7 ttt85 -65.37 125.3 24.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 13.4 mttm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.7 mm? . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.884 0.373 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.462 ' CD2' ' HA ' ' A' ' 105' ' ' ARG . 5.3 m-85 -107.51 169.27 8.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -131.95 134.83 46.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.2 m -95.9 147.41 23.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 104' ' ' ARG . 40.9 p90 -153.28 149.8 28.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.36 130.33 47.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.711 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.3 t -112.94 118.01 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.814 ' HG3' HG13 ' A' ' 97' ' ' VAL . 14.7 tt0 -94.82 93.44 7.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.723 HD21 HD12 ' A' ' 65' ' ' ILE . 52.9 mt -73.66 170.05 16.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 p -132.79 134.62 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -113.15 106.65 14.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -51.8 -175.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -81.62 46.49 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 152.84 34.82 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.533 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.429 ' HG2' ' N ' ' A' ' 28' ' ' SER . 44.8 tt0 -130.75 155.5 46.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.429 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 1.8 t -110.28 178.97 4.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.496 ' HG ' HD12 ' A' ' 31' ' ' ILE . 9.6 tp -67.96 -53.95 22.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.73 50.42 24.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.62 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 78.6 mt -134.92 102.74 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.136 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.1 mmm-85 -78.67 137.58 37.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.0 pt -111.49 168.89 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 p -146.11 144.79 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.63 110.26 3.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.94 0.4 . . . . 0.0 110.896 -179.756 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 CA--C 1.526 0.036 0 CA-C-O 120.94 0.4 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 136.0 -154.91 22.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.3 mm -112.33 129.79 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.563 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 13.7 m-85 -133.89 154.87 50.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.51 117.62 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -80.53 -47.65 13.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.0 p -149.15 168.77 22.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.804 HG21 ' HA ' ' A' ' 66' ' ' GLN . 88.7 t -134.69 78.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.812 ' H ' HD12 ' A' ' 54' ' ' ILE . 5.1 mp -37.48 130.15 0.85 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.742 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 163.96 36.33 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.366 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.94 22.29 59.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 p -116.94 166.46 12.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.83 -43.39 59.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.62 ' HB2' ' CG1' ' A' ' 31' ' ' ILE . . . -60.16 -57.07 14.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -56.77 -44.12 81.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -63.38 -45.71 89.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -57.92 -57.72 11.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.87 26.56 37.34 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.711 ' HB2' HG11 ' A' ' 19' ' ' VAL . 74.5 m80 -119.89 -26.86 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.754 0.312 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.723 HD12 HD21 ' A' ' 21' ' ' LEU . 16.4 mt -114.56 100.24 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.804 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -129.43 176.43 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.467 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 30.7 m -50.54 178.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.492 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.4 OUTLIER 49.06 35.16 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -124.06 139.75 53.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.563 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.0 ttpt -103.42 136.08 43.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.541 HG12 HD11 ' A' ' 100' ' ' LEU . 20.8 mt -106.8 139.72 27.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.45 ' CG2' HG22 ' A' ' 101' ' ' THR . 3.4 m -120.67 -20.52 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.51 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -160.76 148.26 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.89 HG11 HD23 ' A' ' 91' ' ' LEU . 55.7 t -130.93 123.81 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 t0 59.81 29.68 19.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.24 22.03 61.53 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.507 ' O ' HG23 ' A' ' 79' ' ' ILE . 69.5 t -119.77 115.33 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.373 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -59.93 96.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.537 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 5.9 pt -91.78 17.65 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -59.73 93.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.89 -17.46 15.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.537 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 5.0 m-85 -50.92 131.62 26.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.654 ' HB3' ' OD2' ' A' ' 86' ' ' ASP . . . -65.74 157.29 30.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.439 ' O ' HG23 ' A' ' 88' ' ' VAL . 26.0 t-20 -36.83 -65.38 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -59.17 -43.97 92.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.654 ' OD2' ' HB3' ' A' ' 83' ' ' ALA . 49.5 m-20 -50.36 -32.18 16.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.2 t -84.32 -42.46 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 84' ' ' ASN . 94.6 t -54.65 -43.47 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 10.4 pt-20 -63.75 -35.48 80.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 86' ' ' ASP . 95.3 t -63.1 -43.63 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.89 HD23 HG11 ' A' ' 74' ' ' VAL . 44.3 mt -63.64 -44.17 94.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.964 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.7 mtp-105 -60.69 -39.66 89.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -63.35 -40.1 96.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.543 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -50.38 160.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.092 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 98' ' ' VAL . . . -114.45 -158.7 12.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -43.39 -53.92 5.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.814 HG13 ' HG3' ' A' ' 20' ' ' GLU . 86.6 t -84.9 103.47 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.543 HG22 ' HB1' ' A' ' 94' ' ' ALA . 98.1 t -111.46 104.37 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 9.5 m80 -86.59 95.68 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.671 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -84.74 130.26 34.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.51 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . 10.6 m -104.98 111.62 24.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.671 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -128.05 161.05 30.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.433 HG22 ' HB3' ' A' ' 14' ' ' PHE . 2.8 p -134.15 110.75 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.46 ' HD3' ' CE1' ' A' ' 17' ' ' TYR . 9.9 ptt180 -104.49 147.83 27.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.486 ' HD2' ' N ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -62.54 138.37 58.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.486 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 29.6 mttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CD2' ' HA ' ' A' ' 105' ' ' ARG . 5.8 m-85 -114.52 169.33 9.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -130.03 137.98 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 m -101.59 141.49 34.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -145.16 147.52 32.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -99.95 140.91 33.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.0 t -123.63 118.0 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.527 ' HG2' HG13 ' A' ' 97' ' ' VAL . 3.4 tm-20 -92.21 100.69 13.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.736 HD11 ' CD1' ' A' ' 65' ' ' ILE . 47.7 mt -90.48 147.93 23.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -109.6 134.43 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -103.16 106.29 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -53.13 178.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -67.93 74.41 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.75 44.62 1.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -124.52 140.62 52.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 29' ' ' LEU . 1.1 t -95.25 146.09 24.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.522 HD11 HD12 ' A' ' 21' ' ' LEU . 11.8 tp -36.51 -54.14 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.73 47.68 7.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.478 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.538 HD11 ' HB2' ' A' ' 59' ' ' ALA . 70.4 mt -135.2 113.37 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 111.087 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HG2' HD11 ' A' ' 54' ' ' ILE . 18.8 mmm-85 -82.08 135.34 35.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.8 pt -110.89 169.95 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 p -148.34 157.14 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.92 132.91 11.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 110.931 -179.813 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.2 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.888 0.375 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.87 -146.59 17.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.442 HG13 HG21 ' A' ' 87' ' ' VAL . 25.0 mm -109.31 124.12 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.887 0.375 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.585 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 43.6 m-85 -124.84 168.24 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.0 t -87.79 98.65 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -46.41 81.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.8 m -159.31 169.36 24.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.503 HG21 ' HA ' ' A' ' 66' ' ' GLN . 83.3 t -127.37 109.92 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.1 mp -63.46 124.57 84.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.624 0.726 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 147.18 62.64 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.719 2.279 . . . . 0.0 112.38 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.3 14.65 81.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.1 p -110.69 176.09 5.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.73 -42.61 79.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.538 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -62.78 -55.84 22.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -62.27 -33.58 74.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -68.29 -36.64 79.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -68.03 -68.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.31 18.16 12.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.541 ' HB2' HG11 ' A' ' 19' ' ' VAL . 10.6 m170 -110.23 -39.67 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.736 ' CD1' HD11 ' A' ' 21' ' ' LEU . 33.1 mt -94.2 117.44 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.503 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -138.34 173.88 11.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.31 168.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 63.94 30.06 14.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -120.52 138.49 53.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.585 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -100.79 123.08 44.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 75.1 mt -88.57 140.32 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.443 HG12 ' CD ' ' A' ' 80' ' ' GLN . 2.0 m -120.2 -33.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.54 150.14 32.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.5 HG11 HD23 ' A' ' 91' ' ' LEU . 42.7 t -134.68 110.25 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 t70 67.84 29.4 6.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.31 0.47 84.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.2 t -97.41 113.94 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -66.28 101.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 81' ' ' GLY . 6.1 pt -95.69 13.38 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.443 ' CD ' HG12 ' A' ' 72' ' ' VAL . 13.4 mm100 -60.18 76.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 128.89 15.76 2.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -88.99 146.68 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.611 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . . . -76.91 146.66 37.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.668 ' O ' HG23 ' A' ' 88' ' ' VAL . 8.1 m120 -35.25 -47.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.611 ' CE1' ' HB3' ' A' ' 83' ' ' ALA . 13.5 p80 -69.15 -44.17 72.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.651 ' O ' HG23 ' A' ' 90' ' ' VAL . 27.9 m-20 -58.32 -26.83 63.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.442 HG21 HG13 ' A' ' 48' ' ' ILE . 86.4 t -84.07 -32.7 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 84' ' ' ASN . 83.8 t -60.89 -47.89 91.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -61.4 -33.51 73.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 86' ' ' ASP . 74.9 t -62.28 -44.97 99.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.5 HD23 HG11 ' A' ' 74' ' ' VAL . 12.5 mt -63.6 -44.38 94.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -62.94 -42.48 99.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -63.3 -31.11 72.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.415 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -59.24 145.55 42.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.05 -157.29 33.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.539 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -52.88 -61.53 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.925 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.527 HG13 ' HG2' ' A' ' 20' ' ' GLU . 89.6 t -73.01 99.18 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.415 HG22 ' HB1' ' A' ' 94' ' ' ALA . 98.6 t -107.05 113.82 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.421 ' NE2' ' HB2' ' A' ' 20' ' ' GLU . 6.6 m80 -96.82 96.79 8.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.32 126.4 33.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.8 m -100.79 115.67 30.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.658 ' N ' HD12 ' A' ' 102' ' ' LEU . 0.8 OUTLIER -125.73 155.4 41.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.8 p -127.7 112.78 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -107.46 143.8 35.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.529 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 2.1 tmt_? -66.27 137.55 57.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.893 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.435 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 3.8 mm? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.83 0.348 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.546 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 4.3 m-85 -107.11 174.88 5.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -128.17 117.97 22.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.1 m -93.39 135.08 34.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -146.39 151.51 37.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.48 129.79 53.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.419 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.1 t -110.07 113.84 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.637 ' HG3' HG13 ' A' ' 97' ' ' VAL . 9.8 tt0 -90.78 92.26 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.675 HD11 ' CD1' ' A' ' 65' ' ' ILE . 66.7 mt -81.21 151.81 27.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -114.8 133.2 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.6 mtm180 -100.76 102.05 13.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 26' ' ' GLY . 32.9 mttm -59.56 170.9 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 25' ' ' ASP . 14.3 p-10 -51.51 86.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 105.36 -35.79 4.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -51.99 129.49 27.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.5 p -96.09 171.21 8.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' HG ' HD12 ' A' ' 31' ' ' ILE . 11.1 tp -53.42 -54.64 34.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.451 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 74.68 50.05 9.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.509 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 77.3 mt -134.86 120.54 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 111.138 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.4 mmt-85 -94.95 128.52 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.444 HD13 ' CG1' ' A' ' 87' ' ' VAL . 6.6 pt -108.35 170.02 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 p -147.95 148.54 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.8 106.6 2.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 120.94 0.4 . . . . 0.0 110.924 -179.816 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.889 0.376 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.2 -174.84 31.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.7 mm -85.97 137.95 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.542 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 61.4 m-85 -143.9 149.02 36.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 65.1 t -73.55 99.42 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -61.37 -41.84 97.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -161.96 176.33 10.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.3 t -142.1 111.33 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.6 mp -59.73 137.19 90.01 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.75 162.81 40.62 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.67 2.247 . . . . 0.0 112.356 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 52.23 20.36 6.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.0 p -104.91 165.41 11.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.809 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.41 -49.29 35.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.509 ' HB2' ' CG1' ' A' ' 31' ' ' ILE . . . -58.43 -55.98 28.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -53.16 -61.79 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -45.43 -54.24 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -45.7 -61.12 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.73 19.93 49.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.419 ' HB2' HG11 ' A' ' 19' ' ' VAL . 70.6 m-70 -108.39 -36.17 6.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.748 0.308 . . . . 0.0 110.832 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.675 ' CD1' HD11 ' A' ' 21' ' ' LEU . 21.9 mt -99.15 117.79 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -128.53 169.51 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.1 m -65.51 176.14 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 60.61 32.04 20.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -120.13 161.72 20.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.542 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -120.29 122.26 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.548 HG12 HD11 ' A' ' 100' ' ' LEU . 22.3 mt -90.96 134.99 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.36 -24.47 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.407 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -154.88 140.66 18.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.722 HG11 HD23 ' A' ' 91' ' ' LEU . 89.7 t -122.37 123.02 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t0 59.81 29.34 18.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.16 19.47 62.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.539 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 79' ' ' ILE . 82.2 t -118.32 116.29 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -60.83 94.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.543 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 7.0 pt -89.43 14.31 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -56.43 92.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.54 -22.58 10.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 4.5 m-85 -47.44 130.16 13.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -63.04 152.75 36.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 83' ' ' ALA . 10.6 t-20 -34.5 -66.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.431 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 51.7 p-80 -57.28 -47.99 80.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 23.5 m-20 -47.49 -27.46 1.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.444 ' CG1' HD13 ' A' ' 33' ' ' ILE . 71.0 t -86.52 -32.15 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.29 -50.38 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.36 -38.35 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.12 -48.62 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.722 HD23 HG11 ' A' ' 74' ' ' VAL . 18.1 mt -58.6 -42.05 87.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 71.0 mtp85 -63.43 -38.44 91.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -64.56 -38.61 91.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.33 145.69 31.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.67 -159.13 28.73 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -41.48 -53.85 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.637 HG13 ' HG3' ' A' ' 20' ' ' GLU . 85.1 t -79.35 107.14 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.443 HG21 HD13 ' A' ' 29' ' ' LEU . 71.9 t -114.71 101.65 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.493 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 9.1 m80 -86.16 94.64 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.59 HD12 HD11 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -85.72 119.15 25.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.407 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . 17.3 m -94.78 114.55 26.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.59 HD11 HD12 ' A' ' 100' ' ' LEU . 4.2 mp -119.06 168.24 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.3 p -151.51 111.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -111.08 147.25 35.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.546 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 2.5 ttm-85 -65.64 124.17 21.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.435 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 11.4 mttm . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.45 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 21.1 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.8 0.333 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -105.96 150.18 25.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -121.16 144.18 48.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.4 m -105.52 150.02 25.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -149.54 153.42 37.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -99.29 131.35 45.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.609 ' HB ' HD11 ' A' ' 65' ' ' ILE . 1.0 OUTLIER -115.6 112.29 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.705 ' HG3' HG13 ' A' ' 97' ' ' VAL . 13.5 tt0 -92.47 89.96 6.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.659 HD11 HD12 ' A' ' 65' ' ' ILE . 39.1 mt -80.54 142.59 34.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 p -106.38 134.88 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -112.49 112.0 23.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -52.77 -178.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.3 85.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.73 38.37 3.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.47 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -119.04 129.47 55.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.918 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.7 m -77.76 154.88 31.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.741 HD21 HD12 ' A' ' 31' ' ' ILE . 17.3 tp -47.51 -66.87 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.465 ' HA3' ' CB ' ' A' ' 57' ' ' SER . . . 93.96 50.57 2.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.741 HD12 HD21 ' A' ' 29' ' ' LEU . 76.5 mt -137.3 105.46 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 111.159 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.593 ' HG2' HD11 ' A' ' 54' ' ' ILE . 2.4 mmp_? -77.42 134.07 38.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.564 HD13 ' CG1' ' A' ' 87' ' ' VAL . 13.9 pt -117.35 166.14 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.5 p -143.33 150.44 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.63 100.33 1.78 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.96 0.41 . . . . 0.0 110.935 -179.819 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.926 0.393 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.31 -177.05 30.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.8 mm -89.94 127.26 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.547 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 84.9 m-85 -126.45 158.1 36.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.652 HG23 HD11 ' A' ' 71' ' ' ILE . 75.7 t -78.19 98.38 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.161 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -61.9 -38.06 86.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -162.26 173.25 14.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 66' ' ' GLN . 92.5 t -133.46 89.01 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.765 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.2 mp -44.81 129.28 5.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.617 0.723 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 163.45 38.25 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.12 22.12 41.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.465 ' CB ' ' HA3' ' A' ' 30' ' ' GLY . 8.0 p -112.51 162.36 15.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.829 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.67 -39.98 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.512 ' HA ' HD22 ' A' ' 21' ' ' LEU . . . -64.79 -56.9 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -56.19 -48.96 75.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -48.4 -55.98 9.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -50.59 -63.46 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.55 22.47 21.46 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.401 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 16.0 m170 -110.51 -38.71 5.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.7 0.286 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.659 HD12 HD11 ' A' ' 21' ' ' LEU . 37.7 mt -95.4 121.89 46.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.698 ' HA ' HG21 ' A' ' 53' ' ' VAL . 9.0 mp0 -142.07 178.87 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.1 m -63.48 169.21 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 68.44 30.76 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.77 158.67 34.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.547 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 1.4 ttpp -118.53 113.27 21.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.652 HD11 HG23 ' A' ' 50' ' ' VAL . 5.4 mp -83.19 119.82 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 101' ' ' THR . 3.7 m -100.94 -24.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.544 ' HB3' ' OG1' ' A' ' 101' ' ' THR . . . -153.82 137.25 15.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.026 HG11 HD23 ' A' ' 91' ' ' LEU . 64.0 t -119.21 121.71 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 99' ' ' HIS . 7.5 t70 59.37 31.58 21.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.99 17.64 69.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.4 t -113.19 112.7 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -64.02 96.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' GLY . 8.2 pt -88.93 13.04 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -62.69 77.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 140.31 -3.76 2.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.519 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -77.12 -174.81 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.364 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.632 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -122.0 171.09 9.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.59 ' O ' HG23 ' A' ' 88' ' ' VAL . 22.9 t-20 -47.69 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -56.15 -45.74 79.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.522 ' O ' HG23 ' A' ' 90' ' ' VAL . 2.8 m-20 -57.78 -31.21 66.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 83' ' ' ALA . 55.9 t -81.76 -32.97 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 84' ' ' ASN . 91.3 t -62.07 -46.6 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 4.7 pt-20 -61.52 -31.98 72.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 86' ' ' ASP . 73.0 t -63.84 -41.66 93.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.026 HD23 HG11 ' A' ' 74' ' ' VAL . 11.0 mt -66.41 -45.54 79.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.7 mtt-85 -59.94 -44.04 94.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -59.79 -35.2 74.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.49 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -56.25 145.03 27.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.99 -158.91 33.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -48.15 -62.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.705 HG13 ' HG3' ' A' ' 20' ' ' GLU . 97.6 t -72.66 99.22 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.49 HG22 ' HB1' ' A' ' 94' ' ' ALA . 85.8 t -107.68 103.55 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' ASP . 8.5 m80 -89.76 107.9 19.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.577 HD11 ' CG2' ' A' ' 71' ' ' ILE . 20.4 tp -93.04 156.34 16.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.544 ' OG1' ' HB3' ' A' ' 73' ' ' ALA . 2.9 m -127.95 98.8 5.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -117.72 148.28 42.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.6 p -128.05 108.71 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -108.42 167.58 9.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -71.54 120.34 16.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.45 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 9.2 mttm . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.0 mm? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.827 0.346 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 2.1 m-85 -104.96 173.59 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.403 ' HB3' ' CE ' ' A' ' 106' ' ' LYS . 2.9 pp20? -135.97 123.59 22.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 m -86.21 143.87 27.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -152.16 146.27 25.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.45 132.26 37.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.614 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.2 t -113.02 109.42 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.476 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 16.5 tt0 -84.26 107.62 16.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.852 HD11 ' CD1' ' A' ' 65' ' ' ILE . 41.2 mt -97.87 143.83 28.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.1 p -105.74 135.24 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -106.27 107.69 18.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -50.42 177.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -70.4 81.96 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.13 41.01 2.51 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -124.11 155.27 38.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.879 0.371 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.2 m -106.85 177.69 4.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.1 tp -66.44 -69.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.11 32.9 8.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.443 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.536 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 75.7 mt -117.84 112.43 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.349 . . . . 0.0 111.098 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -80.93 133.25 35.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.0 pt -113.49 165.39 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.176 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -147.64 143.67 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.6 82.38 0.55 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.943 0.401 . . . . 0.0 110.918 -179.79 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.895 0.379 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.27 -175.63 22.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.471 HG22 HD13 ' A' ' 71' ' ' ILE . 35.5 mm -85.85 127.93 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 72.5 m-85 -133.54 157.86 44.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.8 t -79.73 102.92 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -67.81 -39.75 83.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.9 m -161.41 168.54 23.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' A' ' 66' ' ' GLN . 72.7 t -132.18 93.91 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.5 mp -43.01 131.32 3.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 160.05 51.16 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.666 2.244 . . . . 0.0 112.384 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.83 28.19 52.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.3 p -115.21 170.39 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.826 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.82 -47.51 73.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.536 ' HB2' ' CG1' ' A' ' 31' ' ' ILE . . . -58.33 -54.24 49.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -57.62 -45.3 85.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -52.83 -58.52 6.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -46.89 -59.8 2.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.32 27.77 12.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.614 ' HB2' HG11 ' A' ' 19' ' ' VAL . 13.2 m-70 -118.37 -39.49 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.852 ' CD1' HD11 ' A' ' 21' ' ' LEU . 18.5 mt -91.91 115.09 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.554 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -140.93 174.97 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.408 HG23 ' ND2' ' A' ' 68' ' ' ASN . 31.9 m -59.21 165.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.408 ' ND2' HG23 ' A' ' 67' ' ' VAL . 1.6 m-20 67.52 30.85 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -121.74 155.03 36.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 7.9 ttpt -118.39 122.25 42.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.529 ' CG2' HD11 ' A' ' 79' ' ' ILE . 4.9 mp -87.63 132.09 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.599 ' CG2' HG22 ' A' ' 101' ' ' THR . 4.0 m -111.67 -25.71 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -163.8 138.62 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.545 HG11 HD23 ' A' ' 91' ' ' LEU . 83.8 t -111.34 121.7 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.471 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 1.3 p30 53.59 25.23 4.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.56 -20.48 41.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.38 119.13 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.342 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -71.97 94.94 1.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.529 HD11 ' CG2' ' A' ' 71' ' ' ILE . 6.5 pt -88.43 13.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -55.13 91.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.42 -24.59 11.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.5 m-85 -41.85 141.98 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -73.95 156.2 37.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.481 ' O ' HG23 ' A' ' 88' ' ' VAL . 12.0 t-20 -36.49 -58.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -65.21 -44.15 89.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.689 ' O ' HG23 ' A' ' 90' ' ' VAL . 8.0 t0 -51.54 -28.37 13.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.2 t -86.57 -38.79 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 84' ' ' ASN . 90.5 t -57.24 -45.56 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -62.78 -38.71 91.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 86' ' ' ASP . 98.7 t -59.59 -42.4 88.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.545 HD23 HG11 ' A' ' 74' ' ' VAL . 35.4 mt -62.36 -46.46 88.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -57.9 -40.96 81.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -62.08 -40.83 97.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.677 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -52.32 148.99 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 98' ' ' VAL . . . -109.75 -152.63 14.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -47.5 -62.01 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.361 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.1 t -75.25 104.2 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.677 HG22 ' HB1' ' A' ' 94' ' ' ALA . 85.8 t -120.57 105.72 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.476 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 18.6 m80 -92.73 97.49 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -82.8 110.42 17.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.599 HG22 ' CG2' ' A' ' 72' ' ' VAL . 18.3 m -81.55 103.56 11.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.79 HD11 HG12 ' A' ' 65' ' ' ILE . 0.6 OUTLIER -120.48 158.0 28.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.48 HG22 ' HB3' ' A' ' 14' ' ' PHE . 3.1 p -136.11 113.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 104' ' ' ARG . 1.7 ptm85 -105.87 154.83 20.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.581 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 2.3 ttm180 -70.37 118.77 13.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.403 ' CE ' ' HB3' ' A' ' 15' ' ' GLU . 19.5 mttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.433 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 8.1 mp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.571 ' HB3' HG22 ' A' ' 103' ' ' VAL . 11.9 m-85 -105.83 159.27 16.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -122.05 129.21 52.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.6 m -95.57 141.51 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -150.56 150.07 30.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.88 135.71 46.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.584 HG11 ' HB2' ' A' ' 64' ' ' HIS . 1.8 t -118.3 113.86 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.89 ' HG3' HG13 ' A' ' 97' ' ' VAL . 16.0 tt0 -84.63 91.51 7.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.994 HD11 HD12 ' A' ' 65' ' ' ILE . 84.4 mt -79.33 139.83 37.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 p -105.26 142.57 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.183 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -107.42 106.22 16.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -49.0 178.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -64.98 90.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.92 45.95 5.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.532 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.444 ' HG2' ' N ' ' A' ' 28' ' ' SER . 39.4 tt0 -123.46 151.7 42.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 110.917 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.444 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 74.5 m -99.49 158.15 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 29' ' ' LEU . 11.4 tp -50.66 -68.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.945 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.567 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 91.74 49.18 3.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.474 HD11 ' CD1' ' A' ' 21' ' ' LEU . 67.1 mt -135.25 114.61 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -90.34 135.57 33.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.1 pt -112.03 163.73 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 p -147.55 140.97 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.594 ' N ' HD21 ' A' ' 84' ' ' ASN . . . -91.66 103.06 3.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.934 0.397 . . . . 0.0 110.891 -179.788 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.4 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.931 0.396 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.94 -169.5 24.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.432 HG22 HD13 ' A' ' 71' ' ' ILE . 15.2 mm -96.24 126.92 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 111.153 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CE1' ' HG2' ' A' ' 70' ' ' LYS . 9.8 m-85 -128.25 156.03 43.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.0 t -74.57 111.37 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -74.07 -40.74 62.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 m -164.41 170.12 16.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.13 104.55 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.719 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.6 mp -52.31 129.88 42.31 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.64 0.733 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 155.51 65.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 59.56 29.87 67.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 p -115.88 179.46 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.51 64.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.81 -44.14 81.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -65.25 -50.41 65.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -50.79 -50.53 55.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -51.69 -61.65 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.55 26.46 17.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.584 ' HB2' HG11 ' A' ' 19' ' ' VAL . 12.5 m170 -114.85 -34.69 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.994 HD12 HD11 ' A' ' 21' ' ' LEU . 45.9 mt -98.22 122.2 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.543 ' NE2' ' C ' ' A' ' 64' ' ' HIS . 7.1 mp0 -138.22 173.81 11.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.16 172.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 62.2 41.35 10.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -130.55 163.79 26.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -124.46 123.45 40.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.475 ' CG2' HD11 ' A' ' 79' ' ' ILE . 5.1 mp -87.8 132.76 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 m -116.2 -24.32 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.49 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -154.85 145.49 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.8 t -129.88 119.19 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' OD2' HG13 ' A' ' 98' ' ' VAL . 1.9 m-20 60.34 30.44 19.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.06 20.12 59.81 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.437 ' O ' HG23 ' A' ' 79' ' ' ILE . 84.2 t -119.27 112.76 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -62.16 90.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.475 HD11 ' CG2' ' A' ' 71' ' ' ILE . 7.5 pt -84.36 13.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -55.43 96.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.32 -21.99 14.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.7 m-85 -48.72 132.25 17.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.864 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -62.72 150.09 42.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.104 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.594 HD21 ' N ' ' A' ' 35' ' ' GLY . 6.0 m120 -38.05 -55.11 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -66.19 -40.27 90.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -56.49 -33.76 66.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.5 t -77.49 -37.2 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.5 t -53.5 -50.49 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 90' ' ' VAL . 5.9 pt-20 -55.08 -43.85 74.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.428 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 89.8 t -57.64 -34.35 47.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.2 mt -71.99 -44.27 63.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.454 ' HG2' ' N ' ' A' ' 93' ' ' ASN . 11.4 ptt180 -66.89 -43.64 82.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.454 ' N ' ' HG2' ' A' ' 92' ' ' ARG . 24.8 m-80 -66.7 -21.11 66.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.47 148.52 48.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.11 -160.75 29.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -50.89 -63.07 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.89 HG13 ' HG3' ' A' ' 20' ' ' GLU . 98.4 t -70.92 97.49 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.413 HG13 ' OD2' ' A' ' 75' ' ' ASP . 94.2 t -107.81 105.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 17.5 m80 -87.63 94.71 9.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.694 HD12 HD11 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -83.6 118.21 23.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.49 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . 5.2 m -94.24 118.34 31.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.694 HD11 HD12 ' A' ' 100' ' ' LEU . 1.4 mp -127.05 153.42 45.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 14' ' ' PHE . 2.7 p -129.97 106.69 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.099 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -100.02 155.83 17.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -74.4 127.53 33.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.433 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 29.5 mttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.443 ' N ' HD12 ' A' ' 13' ' ' LEU . 7.7 mp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.882 0.373 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.66 ' HB3' HG22 ' A' ' 103' ' ' VAL . 15.6 m-85 -98.85 165.49 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -136.21 130.36 33.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.4 m -95.58 149.0 21.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -150.24 145.12 26.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -97.01 132.73 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.5 t -119.91 117.27 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.712 ' HG3' HG13 ' A' ' 97' ' ' VAL . 12.2 tt0 -98.31 93.36 6.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.75 HD11 ' CD1' ' A' ' 65' ' ' ILE . 21.7 mt -79.64 162.75 25.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 p -121.65 142.91 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -115.28 102.43 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 26' ' ' GLY . 23.6 mmmt -56.53 171.03 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -58.98 84.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 115.28 -40.39 2.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -45.33 160.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.1 m -125.61 177.45 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.55 ' CD2' HD22 ' A' ' 91' ' ' LEU . 10.0 tp -62.54 -69.34 0.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.79 53.46 3.99 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.491 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 79.3 mt -134.0 94.02 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 111.152 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.736 ' HG2' HD11 ' A' ' 54' ' ' ILE . 11.3 mmm180 -65.82 128.11 34.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.1 pt -106.38 157.3 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 49' ' ' TYR . 8.1 p -128.34 146.55 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.69 122.97 7.76 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.951 0.405 . . . . 0.0 110.913 -179.787 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.43 -162.79 28.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.0 mm -96.92 118.92 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 41.8 m-85 -122.13 162.13 21.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.7 t -79.81 114.13 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -43.25 48.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.1 177.3 11.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' A' ' 66' ' ' GLN . 88.6 t -134.15 92.83 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.134 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.8 ' H ' HD12 ' A' ' 54' ' ' ILE . 3.9 mp -48.1 134.76 11.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.549 0.69 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.506 ' HD2' HG23 ' A' ' 54' ' ' ILE . 54.5 Cg_endo -69.68 159.58 52.93 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.715 2.277 . . . . 0.0 112.341 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.23 30.44 64.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.2 p -117.86 170.26 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.85 -45.54 86.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.491 ' HB2' ' CG1' ' A' ' 31' ' ' ILE . . . -59.44 -49.83 76.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -57.89 -38.06 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -71.59 -49.59 38.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.448 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.0 t-20 -51.5 -59.96 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.03 28.05 26.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -121.98 -27.82 4.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.75 ' CD1' HD11 ' A' ' 21' ' ' LEU . 11.5 mt -111.33 120.49 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.462 ' HA ' ' CG2' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -157.02 170.33 22.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.3 m -40.13 161.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 65.18 39.71 5.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -140.77 130.26 23.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 4.3 ttpp -96.44 131.06 43.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.761 HG23 HD11 ' A' ' 100' ' ' LEU . 5.2 mp -104.65 124.04 59.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.0 m -100.17 -26.25 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HB3' ' HB ' ' A' ' 101' ' ' THR . . . -150.66 148.24 28.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.692 HG11 HD23 ' A' ' 91' ' ' LEU . 61.1 t -131.3 119.88 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.8 t70 59.45 36.71 23.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.91 23.04 70.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.3 t -120.21 119.72 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.091 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -67.39 97.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.419 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 6.5 pt -97.96 18.73 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -44.47 -71.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -91.95 42.18 2.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CG ' ' HA ' ' A' ' 79' ' ' ILE . 3.1 m-85 -99.19 145.49 27.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -83.7 151.06 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.063 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' ALA . 5.4 t-20 -34.37 -63.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -54.86 -46.82 74.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.597 ' O ' HG23 ' A' ' 90' ' ' VAL . 65.8 m-20 -53.63 -34.17 57.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.2 t -77.75 -35.31 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.6 t -57.79 -54.26 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 14.4 pt-20 -55.34 -41.03 71.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 86' ' ' ASP . 72.5 t -53.69 -41.8 48.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.692 HD23 HG11 ' A' ' 74' ' ' VAL . 17.9 mt -65.63 -46.17 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -58.42 -43.27 88.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -61.43 -40.37 94.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.09 154.61 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.07 -153.51 12.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -50.17 -61.0 2.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.37 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.712 HG13 ' HG3' ' A' ' 20' ' ' GLU . 94.1 t -75.31 102.41 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.2 t -110.51 107.33 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 8.3 m80 -92.74 104.12 16.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.761 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -93.96 136.7 33.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.577 ' N ' HD13 ' A' ' 100' ' ' LEU . 10.7 m -111.22 104.2 12.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.688 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -118.61 161.53 19.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.66 HG22 ' HB3' ' A' ' 14' ' ' PHE . 3.7 p -138.71 116.46 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -104.82 152.04 23.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -74.51 123.11 24.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.43 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 24.1 mttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.903 0.383 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 33.7 m-85 -101.21 147.47 26.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -122.7 147.01 46.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.4 m -109.22 144.69 36.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -144.18 146.89 33.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -98.43 127.78 44.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.17 113.66 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.757 ' HG2' HG13 ' A' ' 97' ' ' VAL . 2.0 tm-20 -92.46 101.57 14.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.81 HD11 HD12 ' A' ' 65' ' ' ILE . 75.5 mt -89.98 139.71 30.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.9 p -98.94 137.0 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -119.36 105.29 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -56.83 179.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.03 101.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.877 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' GLN . . . 96.51 -43.71 2.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLY . 42.3 tt0 -36.63 143.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.946 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.6 m -107.36 157.68 17.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.542 ' CD2' HD22 ' A' ' 91' ' ' LEU . 14.6 tp -42.49 -65.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.86 55.45 2.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.5 mt -141.46 119.75 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.427 ' HG2' HD11 ' A' ' 54' ' ' ILE . 16.2 mmm-85 -90.25 132.34 35.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 pt -112.18 170.03 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -155.07 140.3 10.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.11 84.33 1.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.532 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.984 0.421 . . . . 0.0 110.873 -179.768 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 t . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.928 0.394 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.03 -170.85 29.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.42 133.74 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.119 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.512 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 54.7 m-85 -139.66 147.86 41.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.5 t -68.4 104.58 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -67.99 -44.91 75.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -158.28 169.76 23.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.3 t -125.9 106.19 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.537 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.0 mp -53.41 129.31 52.18 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 0.0 111.175 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 154.8 67.17 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.77 22.8 54.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.445 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 p -110.48 168.57 9.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.815 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.19 -50.11 30.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.64 -58.06 9.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -47.27 -59.27 3.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -44.77 -59.82 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -50.96 -41.46 59.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.93 35.75 91.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.45 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -115.09 -36.96 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.81 HD12 HD11 ' A' ' 21' ' ' LEU . 20.3 mt -97.06 102.97 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -104.82 -174.49 2.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.7 m -82.22 171.39 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 66.94 36.04 4.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -121.06 166.14 14.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.512 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.9 ttpt -121.22 122.23 39.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.433 HG12 HD11 ' A' ' 100' ' ' LEU . 16.6 mt -97.05 124.56 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.7 m -103.33 -22.2 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.15 145.41 19.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.651 HG11 HD23 ' A' ' 91' ' ' LEU . 60.9 t -127.74 121.91 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 55.6 38.41 30.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.25 24.14 71.95 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 79' ' ' ILE . 86.6 t -118.0 108.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 111.131 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -60.86 95.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.475 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.9 pt -95.89 18.09 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -62.07 75.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 123.29 19.72 2.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.461 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 2.9 m-85 -83.02 158.35 22.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.379 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' ASP . . . -81.41 142.0 33.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' ALA . 22.6 t-20 -34.46 -57.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -65.16 -36.23 83.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.584 ' O ' HG23 ' A' ' 90' ' ' VAL . 6.4 m-20 -60.6 -30.02 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.5 t -79.97 -31.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.9 t -61.83 -52.1 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -58.04 -40.8 81.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 86' ' ' ASP . 72.7 t -53.63 -42.67 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.651 HD23 HG11 ' A' ' 74' ' ' VAL . 10.9 mt -65.01 -46.31 81.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -59.54 -43.65 93.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -59.96 -38.48 82.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.43 145.91 13.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.95 -157.28 33.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -50.92 -60.27 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.832 0.348 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.757 HG13 ' HG2' ' A' ' 20' ' ' GLU . 96.4 t -74.74 100.02 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.475 HG21 HD13 ' A' ' 29' ' ' LEU . 89.2 t -106.15 101.99 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.452 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 5.7 m80 -85.09 101.29 12.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.638 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -88.84 128.3 35.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.429 ' N ' HD13 ' A' ' 100' ' ' LEU . 5.8 m -101.71 107.63 18.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.638 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.9 OUTLIER -120.53 156.58 31.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.434 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.0 OUTLIER -134.4 111.94 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -109.89 158.47 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.562 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 1.6 ttt180 -69.98 123.2 20.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.4 mm? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.852 0.358 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.586 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 6.8 m-85 -112.75 162.31 15.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -125.96 128.65 47.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.6 m -97.14 142.85 28.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.185 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -140.97 145.08 35.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.956 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -95.57 131.3 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.8 t -119.39 115.82 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.629 ' HG3' HG13 ' A' ' 97' ' ' VAL . 7.1 tt0 -93.52 104.27 16.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.535 HD11 HD12 ' A' ' 65' ' ' ILE . 69.8 mt -89.82 152.15 21.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.02 134.4 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -105.44 102.65 12.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -53.03 177.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.1 75.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.26 -43.74 1.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.416 ' OE1' ' HB2' ' A' ' 58' ' ' ALA . 25.6 tt0 -51.13 142.69 12.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.799 0.333 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.1 m -108.09 170.81 7.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -50.4 -67.63 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.416 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 80.62 54.72 3.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 59' ' ' ALA . 38.5 mt -133.84 115.0 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 111.106 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.72 ' NH1' HD11 ' A' ' 54' ' ' ILE . 15.1 mmp_? -83.95 143.57 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.7 pt -126.35 169.97 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -152.77 147.45 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.508 ' N ' HD21 ' A' ' 84' ' ' ASN . . . -97.58 104.29 2.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.901 0.381 . . . . 0.0 110.922 -179.81 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.93 0.395 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.14 -131.87 3.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.4 mm -123.35 123.71 68.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.55 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 69.3 m-85 -126.55 147.59 49.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 66.7 t -67.01 109.58 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -73.87 -38.66 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 m -164.59 167.36 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.691 HG21 ' HA ' ' A' ' 66' ' ' GLN . 96.9 t -133.78 112.26 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.161 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.72 HD11 ' NH1' ' A' ' 32' ' ' ARG . 5.3 mp -58.72 127.06 82.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.706 . . . . 0.0 111.182 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 152.95 69.62 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.58 24.42 75.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.3 p -114.85 -176.06 2.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.416 ' HB2' ' OE1' ' A' ' 27' ' ' GLN . . . -66.3 -50.76 62.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.639 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -60.6 -51.54 68.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -57.92 -44.93 87.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -60.19 -46.71 88.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -54.92 -57.15 12.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.59 31.27 22.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -122.1 -29.78 4.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.601 HG23 HD21 ' A' ' 102' ' ' LEU . 11.6 mt -114.72 109.08 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.691 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -145.09 -178.32 5.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.2 m -48.71 162.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.5 m120 64.68 38.16 7.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -132.93 146.95 52.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.55 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 2.9 ttpt -115.09 119.72 37.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.54 HG12 HD11 ' A' ' 100' ' ' LEU . 5.3 mp -92.53 126.16 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.165 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 m -103.42 -26.9 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -155.94 139.89 16.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.479 HG11 HD23 ' A' ' 91' ' ' LEU . 95.2 t -110.87 116.55 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.464 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 1.5 p30 52.8 27.41 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.69 -22.48 32.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 79' ' ' ILE . 84.5 t -73.58 108.43 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -66.12 87.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 77' ' ' VAL . 4.7 pt -85.33 26.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -74.8 51.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 153.55 31.71 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -104.53 160.84 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -82.47 143.98 30.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.508 HD21 ' N ' ' A' ' 35' ' ' GLY . 5.1 m120 -33.73 -61.63 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -61.85 -39.91 93.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.554 ' O ' HG23 ' A' ' 90' ' ' VAL . 70.5 m-20 -57.25 -31.68 65.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.4 t -78.77 -31.09 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.7 t -60.42 -49.95 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 6.9 pt-20 -59.38 -34.31 72.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 86' ' ' ASP . 92.0 t -59.48 -43.51 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.479 HD23 HG11 ' A' ' 74' ' ' VAL . 16.2 mt -64.28 -47.03 81.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 46.5 mtp85 -61.0 -40.93 95.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -62.01 -37.45 84.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.78 148.03 13.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.05 -155.05 30.78 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -54.09 -60.99 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.629 HG13 ' HG3' ' A' ' 20' ' ' GLU . 70.0 t -71.9 99.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.48 105.8 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.5 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 14.3 m80 -91.75 96.41 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.734 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -79.64 131.94 36.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.512 ' N ' HD13 ' A' ' 100' ' ' LEU . 2.6 m -105.79 102.98 12.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.734 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -118.43 161.44 19.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.1 p -137.62 121.22 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -109.58 155.58 21.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.586 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 3.4 ttm180 -75.46 127.18 32.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 14' ' ' PHE . 3.5 mtpm? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.443 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 14.5 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.495 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 22.7 m-85 -108.25 152.21 24.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -125.62 138.7 53.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.4 m -100.53 146.23 27.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -150.14 153.68 36.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -103.38 131.66 50.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.8 t -116.38 113.39 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 22.8 tt0 -86.08 112.01 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.565 HD21 HD12 ' A' ' 65' ' ' ILE . 85.4 mt -94.99 149.76 20.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 22' ' ' VAL . 4.2 p -110.38 122.97 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -92.46 92.47 8.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -54.1 163.11 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -41.53 97.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.0 44.36 61.6 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.425 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -103.33 135.16 45.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.3 m -96.85 138.06 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.463 ' CD2' HD22 ' A' ' 91' ' ' LEU . 11.9 tp -39.29 -68.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.464 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 82.09 50.79 4.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.503 HD11 ' HB2' ' A' ' 59' ' ' ALA . 73.4 mt -129.02 108.16 16.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.855 0.359 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -81.02 124.82 29.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.8 pt -106.84 170.06 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -148.79 147.09 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.41 96.94 1.4 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.931 0.396 . . . . 0.0 110.898 -179.75 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.7 p . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 145.76 -173.24 26.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.3 mm -92.94 122.59 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.541 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 3.1 m-85 -131.03 156.25 45.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.73 112.78 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -78.08 -38.29 44.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 m -163.59 169.29 18.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.588 HG21 ' HA ' ' A' ' 66' ' ' GLN . 48.1 t -136.52 119.86 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.69 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.6 mp -69.65 129.34 91.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.739 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 139.99 41.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.82 17.93 64.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 p -109.36 174.23 5.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.68 84.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.503 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -60.84 -44.57 96.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -65.87 -46.82 76.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -53.98 -44.37 70.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.405 HD22 HD23 ' A' ' 21' ' ' LEU . 19.2 t-20 -56.52 -75.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.78 16.64 11.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -114.8 -25.72 8.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.565 HD12 HD21 ' A' ' 21' ' ' LEU . 13.9 mt -110.53 110.93 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.588 ' HA ' HG21 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -151.88 -178.74 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.3 m -51.45 162.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 66.76 35.96 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.53 136.85 39.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.541 ' CG ' ' CZ ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -102.99 131.0 50.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.474 HG22 HD11 ' A' ' 79' ' ' ILE . 5.1 mp -100.24 133.86 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.7 m -111.02 -31.64 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.37 139.63 18.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.463 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 87.5 t -110.67 120.67 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.463 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 1.5 p30 52.8 27.82 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.18 -21.07 42.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.5 t -74.76 119.87 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 111.128 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -72.9 95.84 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.518 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.6 pt -89.76 15.94 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -59.29 90.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.94 -19.7 15.27 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.9 m-85 -48.57 141.4 7.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.94 156.87 38.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.422 ' O ' HG23 ' A' ' 88' ' ' VAL . 12.8 t-20 -42.75 -49.9 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -70.98 -44.74 65.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.563 ' O ' HG23 ' A' ' 90' ' ' VAL . 96.0 m-20 -52.31 -25.2 8.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 83.9 t -85.94 -35.54 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 84' ' ' ASN . 79.0 t -58.89 -50.4 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -57.22 -42.45 81.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 86' ' ' ASP . 80.5 t -52.98 -48.69 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' A' ' 29' ' ' LEU . 18.6 mt -58.04 -44.01 87.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.5 mtt-85 -62.07 -37.83 86.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -64.73 -39.08 93.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.632 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -53.21 158.84 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.47 -147.26 9.79 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -57.49 -56.35 22.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.434 HG13 ' HG3' ' A' ' 20' ' ' GLU . 87.8 t -81.18 104.71 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.632 HG22 ' HB1' ' A' ' 94' ' ' ALA . 94.5 t -119.82 109.15 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.468 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 20.9 m80 -94.5 99.45 11.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.82 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -81.57 126.87 32.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.471 ' N ' HD13 ' A' ' 100' ' ' LEU . 6.7 m -101.67 105.65 16.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.82 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -119.52 164.38 15.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.495 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.5 p -138.4 114.22 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -110.8 159.58 17.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -74.34 117.67 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.443 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 24.1 mttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.7 mm? . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.846 0.355 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.437 ' CB ' ' CG2' ' A' ' 103' ' ' VAL . 14.4 m-85 -108.17 158.38 17.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -118.26 126.15 51.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.9 m -95.4 145.12 25.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -154.61 146.05 23.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.5 135.59 38.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.683 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.0 t -118.11 116.76 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.926 ' HG3' HG13 ' A' ' 97' ' ' VAL . 35.7 tt0 -92.32 89.81 6.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.56 HD11 HD12 ' A' ' 65' ' ' ILE . 92.4 mt -72.84 142.95 47.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.6 p -108.7 135.69 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.107 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -105.25 113.13 26.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -57.65 179.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.33 79.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.13 40.92 2.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -120.21 162.37 19.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.1 m -114.98 170.88 8.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.809 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.9 tp -62.12 -66.29 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 57' ' ' SER . . . 84.94 51.42 3.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.4 mt -131.53 113.86 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -86.92 125.97 34.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 pt -109.74 168.23 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 p -148.89 142.37 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.48 94.28 1.37 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.413 . . . . 0.0 110.888 -179.783 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.466 ' N ' ' HH ' ' A' ' 49' ' ' TYR . 90.0 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.928 0.394 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.67 -130.99 3.11 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.461 ' CG2' HD12 ' A' ' 71' ' ' ILE . 26.5 mm -117.4 124.49 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 0.0 111.121 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.466 ' HH ' ' N ' ' A' ' 46' ' ' SER . 58.8 m-85 -130.34 145.92 51.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.7 t -69.33 94.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -57.87 -43.25 85.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -162.83 173.33 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.0 t -143.59 111.09 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.951 HG22 ' H ' ' A' ' 56' ' ' GLY . 4.1 mp -52.65 124.5 34.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.678 0.752 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.595 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 53.9 Cg_endo -69.74 3.57 2.68 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.951 ' H ' HG22 ' A' ' 54' ' ' ILE . . . -127.16 37.79 2.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.441 ' CB ' ' HA3' ' A' ' 30' ' ' GLY . 65.1 p -137.16 165.25 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.835 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 61' ' ' HIS . . . -49.51 -56.67 9.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.83 -33.65 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 55' ' ' PRO . 38.0 t80 -78.51 -36.82 44.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 58' ' ' ALA . 58.2 m-70 -69.12 -41.0 77.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -58.15 -48.34 80.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.87 35.72 34.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.683 ' HB2' HG11 ' A' ' 19' ' ' VAL . 76.9 m80 -122.81 -39.02 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.56 HD12 HD11 ' A' ' 21' ' ' LEU . 22.0 mt -98.9 118.16 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -143.22 167.87 21.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.4 m -48.68 169.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 62.21 35.9 15.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -136.11 131.63 35.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -95.97 135.4 37.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.734 HG23 HD11 ' A' ' 100' ' ' LEU . 4.6 mt -94.96 122.42 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.2 m -102.44 -26.9 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.37 145.32 20.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.739 HG11 HD23 ' A' ' 91' ' ' LEU . 42.8 t -127.9 117.77 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.698 ' OD1' HG13 ' A' ' 98' ' ' VAL . 0.5 OUTLIER 54.32 40.52 31.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.54 29.19 60.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.8 t -123.25 107.01 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 111.138 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -63.86 92.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 81' ' ' GLY . 7.3 pt -87.67 9.72 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -55.02 84.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 116.31 19.81 5.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -87.09 164.93 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.927 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -85.8 154.97 21.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.524 ' O ' HG23 ' A' ' 88' ' ' VAL . 3.2 t-20 -45.29 -49.05 12.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -71.45 -45.74 61.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.809 ' O ' HG23 ' A' ' 90' ' ' VAL . 4.4 m-20 -50.14 -29.31 8.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 83' ' ' ALA . 57.5 t -82.44 -40.38 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 84' ' ' ASN . 91.6 t -55.87 -49.58 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -61.58 -40.27 94.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 86' ' ' ASP . 78.1 t -54.51 -43.09 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.739 HD23 HG11 ' A' ' 74' ' ' VAL . 12.8 mt -66.75 -44.16 82.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -61.24 -43.44 98.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -59.83 -38.15 81.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.87 142.83 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.53 -158.48 34.65 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.449 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -47.75 -59.39 3.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.926 HG13 ' HG3' ' A' ' 20' ' ' GLU . 94.5 t -75.27 98.9 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.698 HG13 ' OD1' ' A' ' 75' ' ' ASP . 62.3 t -105.88 105.56 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.542 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 7.2 m170 -90.51 94.04 9.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.889 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.734 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -86.12 128.51 34.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.466 ' N ' HD13 ' A' ' 100' ' ' LEU . 9.1 m -103.56 111.43 23.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.666 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -124.44 157.86 34.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.437 ' CG2' ' CB ' ' A' ' 14' ' ' PHE . 1.2 p -134.9 113.3 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -111.95 156.87 21.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 -65.76 131.65 46.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.41 ' O ' ' CD ' ' A' ' 106' ' ' LYS . 5.1 mp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.797 0.332 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.485 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 31.5 m-85 -101.28 145.62 28.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -118.06 140.37 49.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -102.93 137.33 41.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -137.42 147.05 45.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -97.7 132.87 42.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -119.62 113.81 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 14.4 tt0 -88.29 110.02 20.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.579 HD11 HD12 ' A' ' 65' ' ' ILE . 72.8 mt -96.24 144.68 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -106.31 136.05 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -111.82 105.36 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.01 177.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -66.88 80.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.39 41.28 1.92 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -124.05 129.24 50.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 0.0 110.905 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.4 m -84.32 175.85 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.43 HD21 HD12 ' A' ' 31' ' ' ILE . 11.0 tp -67.91 -69.58 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.675 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 89.37 43.7 5.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.54 HD11 ' HB2' ' A' ' 59' ' ' ALA . 87.1 mt -127.02 114.02 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 111.115 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mmt-85 -90.14 137.59 32.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 pt -114.28 166.57 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.3 p -137.76 149.06 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.581 ' N ' HD21 ' A' ' 84' ' ' ASN . . . -102.43 105.62 2.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.918 -179.824 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.4 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.939 0.4 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.62 -172.81 31.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.9 mm -97.93 121.59 48.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.379 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 20.8 m-85 -122.65 153.56 39.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 67.2 t -70.44 106.13 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -43.35 75.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 m -163.21 168.2 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.693 HG21 ' HA ' ' A' ' 66' ' ' GLN . 69.3 t -140.55 113.23 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.151 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.764 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.6 mp -56.59 135.09 77.58 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 111.092 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.534 ' HD2' HG23 ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.74 162.61 41.4 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.537 ' HA2' ' CE1' ' A' ' 61' ' ' HIS . . . 53.2 30.65 39.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.495 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 19.2 p -115.14 -177.58 3.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.98 -48.72 72.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.072 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -62.91 -54.28 40.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -57.21 -55.35 35.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.537 ' CE1' ' HA2' ' A' ' 56' ' ' GLY . 22.3 m-70 -48.28 -52.53 20.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.877 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -49.82 -51.85 36.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.59 33.75 24.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.44 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -128.59 -30.13 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.743 0.306 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.579 HD12 HD11 ' A' ' 21' ' ' LEU . 11.4 mt -113.97 104.82 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.693 ' HA ' HG21 ' A' ' 53' ' ' VAL . 1.1 pm0 -146.71 177.44 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.6 m -42.59 162.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 64.01 46.32 3.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -146.62 142.27 27.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 3.9 ttpp -107.25 125.27 50.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.468 HG12 HD11 ' A' ' 100' ' ' LEU . 53.9 mt -97.09 128.5 48.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 m -106.4 -32.09 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.76 135.3 20.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.543 HG12 ' OD2' ' A' ' 75' ' ' ASP . 96.8 t -106.1 116.65 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.543 ' OD2' HG12 ' A' ' 74' ' ' VAL . 3.5 p30 50.48 35.42 11.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.11 -23.26 37.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.2 t -72.91 109.19 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -68.49 90.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.54 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 4.9 pt -82.48 19.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -58.08 90.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 100.51 28.98 6.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.54 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.2 m-85 -90.18 146.15 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.754 ' HB1' ' CE1' ' A' ' 85' ' ' HIS . . . -68.58 138.45 55.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.581 HD21 ' N ' ' A' ' 35' ' ' GLY . 5.9 m120 -33.62 -43.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.754 ' CE1' ' HB1' ' A' ' 83' ' ' ALA . 11.9 p-80 -73.91 -47.19 39.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.927 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.4 m-20 -49.0 -37.6 20.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.0 t -70.9 -39.04 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 84' ' ' ASN . 99.1 t -56.34 -54.67 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 8.7 pt-20 -58.3 -38.21 76.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.927 HG23 ' O ' ' A' ' 86' ' ' ASP . 94.0 t -56.46 -42.65 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.472 HD23 HG11 ' A' ' 74' ' ' VAL . 15.6 mt -63.5 -47.99 79.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -57.76 -42.72 84.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -59.8 -40.68 89.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.641 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -47.15 151.52 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.504 ' O ' HG23 ' A' ' 98' ' ' VAL . . . -109.67 -153.48 14.71 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.519 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -51.87 -61.21 2.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.413 HG13 ' HG3' ' A' ' 20' ' ' GLU . 99.6 t -77.08 99.99 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.641 HG22 ' HB1' ' A' ' 94' ' ' ALA . 88.4 t -113.83 107.98 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.435 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 11.2 m80 -91.57 99.3 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.664 HD12 HD11 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -80.14 129.68 34.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.3 m -105.52 109.36 21.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.664 HD11 HD12 ' A' ' 100' ' ' LEU . 1.0 OUTLIER -120.75 162.01 20.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.7 p -139.39 108.52 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -108.47 164.73 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -72.43 131.82 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.41 ' CD ' ' O ' ' A' ' 13' ' ' LEU . 4.0 mtpm? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.1 p -131.79 176.06 8.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 110.836 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 m -107.3 150.25 26.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -141.4 -136.45 3.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 4' ' ' GLY . 84.0 p 34.38 46.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.854 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 p -127.09 115.13 18.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.5 161.68 37.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 9' ' ' SER . . . 155.58 156.04 7.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.534 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 8' ' ' GLY . 58.8 m -34.99 134.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.401 ' O ' HD21 ' A' ' 13' ' ' LEU . 23.9 p-10 -83.33 43.67 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -81.44 -61.71 1.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.3 m -104.63 75.71 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.401 HD21 ' O ' ' A' ' 10' ' ' ASP . 3.9 mm? -58.82 -37.74 77.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.442 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . 2.5 m-85 -100.72 171.69 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -130.11 129.82 44.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.9 m -94.55 144.82 25.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -148.36 147.45 29.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -98.49 138.76 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.646 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.5 t -123.85 114.27 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.712 ' HG3' HG13 ' A' ' 97' ' ' VAL . 15.0 tt0 -88.9 97.57 11.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.728 HD11 HD12 ' A' ' 65' ' ' ILE . 63.0 mt -85.56 147.93 26.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.8 p -111.4 134.73 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -105.22 104.95 14.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -50.63 175.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -67.05 83.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.08 40.52 2.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -120.4 160.14 23.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.7 p -111.38 178.56 4.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.705 ' CD2' HD22 ' A' ' 91' ' ' LEU . 10.1 tp -68.56 -52.67 29.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.43 43.76 29.69 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.547 HD11 ' HB2' ' A' ' 59' ' ' ALA . 89.1 mt -131.56 119.39 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 111.15 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -89.99 135.71 33.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.1 pt -114.28 160.24 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.5 p -133.81 141.75 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.68 ' N ' HD21 ' A' ' 84' ' ' ASN . . . -103.96 109.53 3.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -100.02 147.38 25.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.911 0.386 . . . . 0.0 110.935 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.5 t -119.61 -27.17 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.54 75.29 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.513 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.2 t -59.86 177.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.755 0.312 . . . . 0.0 111.178 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 t -86.69 157.17 19.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.3 t60 62.24 35.08 15.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.2 p -150.01 155.38 39.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -98.6 36.88 3.74 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -83.42 178.61 7.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.362 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.71 -175.39 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.0 p -148.94 122.47 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.95 -178.59 20.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.516 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.1 mm -89.87 123.08 41.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.508 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 80.1 m-85 -127.26 150.79 49.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.587 HG23 HD11 ' A' ' 71' ' ' ILE . 97.0 t -72.23 95.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.14 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -58.57 -45.55 88.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.453 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 4.3 m -159.31 179.11 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.486 HG21 ' HA ' ' A' ' 66' ' ' GLN . 59.7 t -137.04 110.17 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.3 mp -60.22 128.17 87.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.651 0.739 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.9 66.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.653 2.236 . . . . 0.0 112.364 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.97 29.06 69.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.3 p -122.2 174.51 6.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.66 -55.82 19.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.547 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -52.18 -56.02 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -54.11 -51.26 64.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -55.41 -54.76 39.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -50.12 -53.81 24.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.55 29.73 35.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.646 ' HB2' HG11 ' A' ' 19' ' ' VAL . 14.1 m170 -115.62 -40.53 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.311 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.728 HD12 HD11 ' A' ' 21' ' ' LEU . 18.0 mt -97.67 122.42 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.486 ' HA ' HG21 ' A' ' 53' ' ' VAL . 16.3 mp0 -143.94 168.94 18.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 27.3 m -50.09 170.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 62.18 41.65 10.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -134.24 148.04 50.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.508 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.7 ttpt -109.56 111.24 22.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.587 HD11 HG23 ' A' ' 50' ' ' VAL . 5.3 mp -82.56 121.03 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 m -102.52 -22.88 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.43 144.14 13.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.597 HG11 HD23 ' A' ' 91' ' ' LEU . 84.1 t -115.42 115.83 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.48 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 2.4 p30 51.13 33.66 9.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.17 -22.73 38.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.453 HG21 HG13 ' A' ' 90' ' ' VAL . 95.7 t -69.76 109.65 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -68.98 86.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.534 HD11 HG22 ' A' ' 71' ' ' ILE . 6.6 pt -86.83 14.67 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' ILE . 66.6 mt-30 -37.59 -62.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.07 48.12 0.98 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.2 m-85 -101.7 168.26 9.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.39 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.76 153.05 22.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.683 ' O ' HG23 ' A' ' 88' ' ' VAL . 25.8 m120 -38.26 -54.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -63.26 -43.08 99.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.609 ' O ' HG23 ' A' ' 90' ' ' VAL . 11.5 t0 -60.66 -31.12 70.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 69.9 t -78.95 -35.6 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 84' ' ' ASN . 91.8 t -58.5 -53.13 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.03 -38.49 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 86' ' ' ASP . 74.1 t -58.54 -46.25 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.705 HD22 ' CD2' ' A' ' 29' ' ' LEU . 29.4 mt -59.2 -47.55 84.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -61.74 -40.94 96.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -64.04 -38.37 90.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.83 145.3 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.32 -157.51 32.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -51.39 -62.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.712 HG13 ' HG3' ' A' ' 20' ' ' GLU . 93.3 t -71.04 100.64 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 70.5 t -110.53 105.42 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 75' ' ' ASP . 13.0 m80 -90.55 93.29 9.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.583 HD13 ' H ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -78.18 135.5 37.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.583 ' H ' HD13 ' A' ' 100' ' ' LEU . 11.6 m -108.35 106.17 16.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.524 HD21 HG23 ' A' ' 65' ' ' ILE . 1.3 mp -116.92 158.75 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 14' ' ' PHE . 3.3 p -140.81 112.16 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -113.29 154.21 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -61.37 126.5 27.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -63.0 170.16 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.9 m 65.48 45.86 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.5 t -127.64 176.52 7.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 108' ' ' SER . 89.7 p -35.55 -42.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.9 m -44.56 167.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.4 t -102.36 149.91 23.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 43.0 m -40.64 151.37 0.26 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -167.31 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 38.0 mt -96.37 -57.38 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -132.51 73.2 77.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.659 0.742 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 148.05 63.93 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.606 2.204 . . . . 0.0 112.379 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 165.75 29.86 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.35 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 m -129.1 140.87 51.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -86.47 80.64 8.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.22 144.62 42.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 122' ' ' THR . . . -92.79 47.74 2.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 121' ' ' GLY . 11.3 t 34.06 39.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.808 0.337 . . . . 0.0 111.132 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 5.0 p -88.37 143.91 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.4 p -93.64 43.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 90.5 -166.05 31.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 1.25 4.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.336 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.0 p -51.29 -21.75 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 129' ' ' GLY . 22.9 t -142.59 163.47 32.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 128' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.486 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -53.43 -55.89 21.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t 55.73 42.17 29.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.06 123.96 1.22 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.3 p -72.53 138.8 47.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 110.825 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -63.65 -46.68 84.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.7 169.1 32.63 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.06 87.22 0.61 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.5 p -152.55 167.64 28.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.68 51.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 13' ' ' LEU . 57.6 m -54.35 -179.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' SER . 20.8 m -35.94 93.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 11' ' ' SER . 1.9 mm? -57.02 -32.01 65.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.49 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . 2.8 m-85 -104.53 170.91 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -126.7 130.88 51.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -96.76 135.32 38.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 102' ' ' LEU . 32.2 p90 -141.86 151.25 42.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.961 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -104.62 134.36 47.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.465 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.4 t -119.01 113.69 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.658 ' HG3' HG13 ' A' ' 97' ' ' VAL . 8.2 tt0 -85.42 103.03 13.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.782 HD11 ' CD1' ' A' ' 65' ' ' ILE . 48.0 mt -94.03 142.61 27.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 p -105.95 136.59 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -115.74 109.77 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -49.71 -179.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -72.29 83.02 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.828 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.87 35.64 2.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -120.08 136.66 54.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.1 p -83.84 156.79 22.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.567 ' CD2' HD22 ' A' ' 91' ' ' LEU . 15.1 tp -48.49 -52.85 20.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.422 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 82.89 51.41 4.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.412 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 86.0 mt -142.21 114.15 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 111.146 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -84.63 144.69 28.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.4 pt -121.19 170.95 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 p -155.25 141.89 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.75 131.31 10.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -125.75 149.74 48.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.938 0.399 . . . . 0.0 110.955 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.8 m -125.68 -24.25 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.02 60.04 9.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -105.79 -37.18 6.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.6 m -118.96 63.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -173.65 168.85 4.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.3 t -78.66 164.84 24.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 44' ' ' GLU . . . 38.83 85.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.443 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 43' ' ' GLY . 51.2 mt-10 -35.57 116.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.24 94.07 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.081 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.5 p -118.67 138.84 52.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.28 174.39 16.5 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mm -85.4 128.57 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 111.142 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.514 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 91.2 m-85 -129.29 159.75 35.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.2 t -82.12 101.72 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -67.12 -35.5 79.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -164.58 174.68 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.0 t -134.19 95.49 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.0 mp -40.72 132.43 1.77 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.4 ' HD2' HG23 ' A' ' 54' ' ' ILE . 53.8 Cg_endo -69.75 160.9 48.0 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.723 2.282 . . . . 0.0 112.335 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 48.07 35.49 13.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.8 p -117.99 175.47 5.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.883 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.2 -56.73 17.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.412 ' HB2' ' CG1' ' A' ' 31' ' ' ILE . . . -51.43 -43.73 62.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -66.07 -47.49 74.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -56.43 -48.62 76.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -59.11 -47.05 86.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.33 34.42 54.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.465 ' HB2' HG11 ' A' ' 19' ' ' VAL . 6.7 m-70 -117.03 -39.59 3.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.782 ' CD1' HD11 ' A' ' 21' ' ' LEU . 20.5 mt -95.99 128.67 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -143.98 172.53 12.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.1 m -59.34 173.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 m120 62.8 35.23 13.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.51 152.38 50.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 4.5 ttpp -113.41 128.34 56.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.682 HG12 HD11 ' A' ' 100' ' ' LEU . 4.0 mp -96.79 128.87 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.9 m -107.93 -22.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.62 145.69 18.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.2 t -121.32 107.8 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.7 t70 63.83 31.03 14.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.87 -15.56 62.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.5 t -82.51 114.39 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -68.82 91.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.475 HD11 HG22 ' A' ' 71' ' ' ILE . 6.2 pt -85.12 16.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.47 96.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.07 -16.15 33.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -51.72 129.93 27.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.929 0.395 . . . . 0.0 110.848 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.696 ' HB3' ' OD2' ' A' ' 86' ' ' ASP . . . -62.95 157.93 20.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.578 ' O ' HG23 ' A' ' 88' ' ' VAL . 27.2 t-20 -39.48 -52.6 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -68.7 -48.83 62.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.7 ' O ' HG23 ' A' ' 90' ' ' VAL . 22.6 m-20 -46.02 -36.86 6.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.7 t -76.09 -37.38 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 84' ' ' ASN . 95.4 t -55.33 -56.77 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 9.7 pt-20 -53.13 -37.19 61.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 86' ' ' ASP . 93.3 t -57.57 -46.99 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.567 HD22 ' CD2' ' A' ' 29' ' ' LEU . 17.2 mt -60.41 -46.14 91.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -59.9 -40.25 88.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -63.52 -38.75 92.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.93 161.46 2.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.85 -149.13 9.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -58.07 -58.31 9.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.862 0.363 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.658 HG13 ' HG3' ' A' ' 20' ' ' GLU . 90.4 t -75.48 96.53 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.45 106.1 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 20.1 m80 -89.96 92.23 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.682 HD11 HG12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -75.8 127.46 33.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.416 ' N ' HD13 ' A' ' 100' ' ' LEU . 8.3 m -100.66 111.93 24.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 2.4 mp -119.49 155.28 32.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.49 ' CG2' ' HB2' ' A' ' 14' ' ' PHE . 2.1 p -133.74 107.21 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -107.56 154.73 20.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -67.47 132.46 47.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 107' ' ' THR . 12.0 mttm -72.49 -47.35 49.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 106' ' ' LYS . 60.0 m -33.88 140.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.9 m -39.19 116.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.6 p -166.66 176.89 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.82 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.1 m -76.16 52.46 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 112' ' ' SER . 22.7 p -141.19 160.56 39.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 111' ' ' THR . 48.6 p -36.37 152.43 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.682 0.753 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -166.47 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.718 2.279 . . . . 0.0 112.311 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.669 HD23 ' H ' ' A' ' 114' ' ' LEU . 1.2 pt? -76.54 -35.06 58.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.437 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 62.2 tt0 -133.81 73.98 70.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.638 0.732 . . . . 0.0 110.916 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 158.55 56.69 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.746 2.297 . . . . 0.0 112.356 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 84.05 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.32 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 90.7 p -167.91 -179.63 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.16 -178.46 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.446 ' HD3' ' N ' ' A' ' 120' ' ' ARG . 0.5 OUTLIER -98.32 172.32 7.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -130.03 157.04 21.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 122' ' ' THR . 8.9 t -85.45 115.79 23.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 111.147 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 73.3 t -108.68 147.11 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.2 p -108.52 -45.25 3.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.87 -96.03 0.84 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 171.14 14.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.343 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.1 t -118.23 101.14 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 36.6 p -123.19 -48.04 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.458 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -74.02 -55.7 5.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 m 61.37 42.1 12.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.17 -115.75 1.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -154.35 171.63 18.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 t -167.99 170.4 10.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.95 162.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -128.58 89.21 0.32 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.9 p -53.89 158.35 2.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.365 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.408 ' O ' HD21 ' A' ' 13' ' ' LEU . 3.8 p30 -122.19 41.58 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -85.4 -57.16 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -103.1 79.23 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.408 HD21 ' O ' ' A' ' 10' ' ' ASP . 3.9 mm? -65.82 -37.04 85.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.403 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . 2.5 m-85 -100.82 173.55 6.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' HB3' ' CE ' ' A' ' 106' ' ' LYS . 2.2 pt-20 -135.82 129.71 32.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.1 m -94.32 139.84 30.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -144.3 145.04 31.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -95.1 136.25 35.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.537 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.9 t -121.94 115.47 46.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' O ' ' CD ' ' A' ' 20' ' ' GLU . 4.4 tm-20 -90.35 102.03 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.808 HD11 ' CD1' ' A' ' 65' ' ' ILE . 47.1 mt -92.41 137.63 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.6 131.7 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.186 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -99.1 106.97 19.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -57.87 169.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.74 85.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.88 44.13 5.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.466 ' HG2' ' N ' ' A' ' 28' ' ' SER . 40.8 tt0 -118.1 152.6 35.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.347 . . . . 0.0 110.907 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.466 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 65.2 m -102.26 152.07 21.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.543 ' CD2' HD22 ' A' ' 91' ' ' LEU . 12.1 tp -46.39 -61.18 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.64 47.34 4.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.55 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.495 HD12 ' CD2' ' A' ' 29' ' ' LEU . 80.8 mt -136.26 121.0 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.458 ' HG2' HD11 ' A' ' 54' ' ' ILE . 17.8 mmt180 -94.97 128.66 41.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.497 HD13 ' HB ' ' A' ' 87' ' ' VAL . 7.5 pt -106.31 173.75 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 p -152.14 147.46 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.58 106.99 3.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -87.55 144.67 26.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.914 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.0 t -116.44 -25.12 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.162 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.46 87.75 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.8 t -116.29 40.45 2.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.777 0.322 . . . . 0.0 111.122 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.0 m -144.02 -178.95 6.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.79 -20.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.2 p -82.77 103.11 12.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.76 -49.93 27.1 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -78.0 47.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.38 26.8 10.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.3 t -112.38 121.71 45.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.76 -164.14 34.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.411 ' CG2' ' HB ' ' A' ' 33' ' ' ILE . 17.7 mm -101.05 137.53 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.484 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 13.5 m-85 -137.34 146.94 45.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.762 HG23 HD11 ' A' ' 71' ' ' ILE . 87.6 t -69.21 101.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -68.1 -42.94 79.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.7 m -160.38 170.54 20.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.4 t -132.6 105.4 8.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.734 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.2 mp -51.6 130.43 35.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.659 0.742 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 156.01 64.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.7 28.59 63.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.5 p -115.03 170.85 8.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.32 -51.84 41.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.24 -53.69 55.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -53.13 -51.84 60.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -53.88 -53.09 57.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -49.77 -54.78 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.75 33.5 24.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.446 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.537 ' HB2' HG11 ' A' ' 19' ' ' VAL . 12.3 m-70 -118.68 -39.7 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.808 ' CD1' HD11 ' A' ' 21' ' ' LEU . 17.4 mt -93.48 125.97 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -143.17 167.13 22.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.5 m -56.82 171.68 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 64.66 40.24 5.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -133.38 157.06 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.484 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 18.0 ttpt -116.24 113.4 22.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.762 HD11 HG23 ' A' ' 50' ' ' VAL . 5.0 mp -83.84 121.07 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.1 m -105.51 -29.04 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.544 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -146.4 142.68 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.753 HG11 HD23 ' A' ' 91' ' ' LEU . 89.0 t -129.32 118.97 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.4 t70 63.63 35.91 11.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.96 25.33 69.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.7 t -124.86 116.69 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -62.88 96.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.624 HD11 HG22 ' A' ' 71' ' ' ILE . 6.6 pt -86.91 15.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.181 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -56.92 92.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.25 -25.54 7.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.496 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 7.0 m-85 -47.78 130.78 14.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.895 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.454 ' N ' ' HB2' ' A' ' 86' ' ' ASP . . . -67.88 166.38 15.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.4 ' O ' HD11 ' A' ' 33' ' ' ILE . 13.4 t-20 -42.66 -60.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -63.06 -45.41 92.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.758 ' O ' HG23 ' A' ' 90' ' ' VAL . 10.3 m-20 -48.79 -32.33 8.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.497 ' HB ' HD13 ' A' ' 33' ' ' ILE . 84.5 t -82.59 -39.09 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.2 t -57.05 -49.98 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -58.87 -39.43 81.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 86' ' ' ASP . 84.7 t -55.96 -42.7 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.753 HD23 HG11 ' A' ' 74' ' ' VAL . 21.8 mt -63.44 -47.7 80.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -59.48 -43.3 93.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -61.07 -40.01 92.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.22 157.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.37 -155.85 19.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -50.1 -61.38 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.407 HG13 ' HG2' ' A' ' 20' ' ' GLU . 89.5 t -73.6 95.42 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 96.1 t -104.8 100.03 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.413 ' NE2' ' HB2' ' A' ' 20' ' ' GLU . 6.1 m80 -86.74 99.93 12.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.486 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -85.63 132.52 34.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.544 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . 9.9 m -105.6 109.37 21.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.584 HD21 HG23 ' A' ' 65' ' ' ILE . 1.5 mp -120.35 158.38 27.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 103' ' ' VAL . 3.0 p -141.86 112.21 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -111.95 155.49 23.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -68.33 122.31 18.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.432 ' CE ' ' HB3' ' A' ' 15' ' ' GLU . 24.3 mttt -59.97 -44.35 94.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 97.3 m -38.28 140.23 0.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.1 p -56.75 172.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.6 t -97.07 174.56 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.4 p -57.37 166.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 12.0 t -60.44 142.11 55.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.435 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 13.4 m 59.75 54.94 4.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.683 0.754 . . . . 0.0 110.848 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 112' ' ' SER . 54.4 Cg_endo -69.73 -171.13 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.645 2.23 . . . . 0.0 112.334 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 37.4 mt -104.91 -56.51 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -121.68 65.08 17.54 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 143.52 51.16 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.682 2.254 . . . . 0.0 112.331 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 124.24 10.88 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.1 p -101.79 40.03 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -148.14 136.11 21.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.468 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 2.5 mpt_? -76.63 106.42 8.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.75 166.27 48.77 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 69.0 p -62.66 133.92 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 111.09 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 123' ' ' VAL . 11.0 p -90.19 130.11 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 123' ' ' VAL . 6.0 m -37.78 135.79 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -90.88 -174.61 44.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 123.25 9.92 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 33.7 t -118.22 97.02 5.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.809 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 68.8 m -83.46 149.84 26.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.432 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -120.84 83.81 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.389 . . . . 0.0 110.895 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 p -51.99 135.75 30.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.29 -89.52 0.96 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -124.83 121.71 35.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 m -58.72 -47.19 85.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.96 52.32 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.15 122.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.6 t -125.92 138.23 53.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.878 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.944 ' OD1' HD11 ' A' ' 13' ' ' LEU . 3.3 t70 -113.67 51.19 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.3 t -99.8 -61.3 1.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 m -102.29 67.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.944 HD11 ' OD1' ' A' ' 10' ' ' ASP . 3.3 mm? -66.32 -31.83 72.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -113.4 159.98 18.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -119.28 133.56 55.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.2 m -98.95 142.98 29.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.402 ' CE2' HD13 ' A' ' 102' ' ' LEU . 30.8 p90 -144.31 144.74 31.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -96.5 133.07 41.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.568 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.5 t -119.37 113.21 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -88.28 93.92 9.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.789 HD11 ' CD1' ' A' ' 65' ' ' ILE . 52.7 mt -83.37 142.47 31.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.7 p -108.3 140.66 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -107.89 105.85 15.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -53.48 173.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -60.96 89.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.08 42.25 4.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.456 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -119.25 159.74 23.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.0 p -113.07 179.73 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.425 ' CD2' HD22 ' A' ' 91' ' ' LEU . 9.2 tp -74.74 -50.93 15.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.62 44.77 62.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.528 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.595 HD11 ' HB2' ' A' ' 59' ' ' ALA . 88.6 mt -129.03 99.54 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.106 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.552 ' HG2' HD11 ' A' ' 54' ' ' ILE . 30.1 mmt180 -72.57 133.38 44.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.9 pt -109.53 162.84 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 p -135.86 142.97 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.88 109.2 3.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -102.82 144.55 31.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.3 t -114.69 -33.89 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.83 114.21 0.26 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.0 t -82.81 36.7 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 111.157 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 t -161.68 143.89 11.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -61.26 -38.61 87.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.0 p -148.17 116.8 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.155 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.75 -47.45 0.87 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.52 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -78.89 138.25 38.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.27 122.62 17.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.0 p -123.77 129.1 50.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.12 -161.67 25.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.412 ' C ' ' CD1' ' A' ' 49' ' ' TYR . 28.0 mm -98.92 140.62 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.554 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 15.7 m-85 -142.77 159.77 41.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.603 HG23 HD11 ' A' ' 71' ' ' ILE . 79.0 t -78.01 105.82 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -69.5 -47.96 62.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.9 p -147.83 167.68 24.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.553 HG21 ' HA ' ' A' ' 66' ' ' GLN . 98.0 t -132.98 86.12 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.802 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.8 mp -47.77 131.92 11.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 164.1 35.85 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.13 18.23 47.83 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 p -110.88 161.06 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.92 0.391 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.01 -47.37 11.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.595 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -57.91 -58.67 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -54.58 -55.48 28.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -50.15 -54.46 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -52.36 -45.86 65.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.12 35.31 53.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.568 ' HB2' HG11 ' A' ' 19' ' ' VAL . 79.8 m80 -120.46 -38.9 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 110.823 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.789 ' CD1' HD11 ' A' ' 21' ' ' LEU . 20.2 mt -97.65 122.81 49.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.553 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -140.88 166.35 25.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.0 m -52.6 172.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 59.77 33.81 21.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.83 147.37 47.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.554 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.8 ttpt -108.66 120.06 41.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.603 HD11 HG23 ' A' ' 50' ' ' VAL . 3.8 mp -92.35 124.19 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.6 m -105.0 -22.09 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.458 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -156.76 141.18 16.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.814 HG11 HD23 ' A' ' 91' ' ' LEU . 99.8 t -124.33 123.99 67.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.442 ' OD2' ' HB1' ' A' ' 94' ' ' ALA . 2.0 t70 62.73 30.25 16.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.33 20.84 65.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 81.5 t -120.31 121.58 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.377 . . . . 0.0 111.094 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -65.8 94.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.9 pt -90.05 17.77 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -59.92 90.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.4 -15.92 9.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -54.01 133.24 43.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.48 ' N ' ' HB2' ' A' ' 86' ' ' ASP . . . -66.6 159.58 27.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.578 ' O ' HG23 ' A' ' 88' ' ' VAL . 24.4 t-20 -39.69 -54.36 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -68.25 -45.34 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.78 ' O ' HG23 ' A' ' 90' ' ' VAL . 4.0 m-20 -49.35 -33.24 13.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.92 -39.65 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 84' ' ' ASN . 99.3 t -56.23 -49.84 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 14.0 pt-20 -59.82 -37.55 79.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 86' ' ' ASP . 97.2 t -57.86 -45.42 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.814 HD23 HG11 ' A' ' 74' ' ' VAL . 13.7 mt -63.5 -46.74 84.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -61.31 -40.96 96.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -62.28 -38.18 88.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.476 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -56.65 152.6 11.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.436 ' O ' HG23 ' A' ' 98' ' ' VAL . . . -101.72 -150.5 23.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.457 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -54.06 -59.68 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.925 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.62 96.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.476 HG22 ' HB1' ' A' ' 94' ' ' ALA . 74.7 t -109.53 100.02 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 75' ' ' ASP . 11.4 m80 -84.74 103.61 13.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.452 HD13 ' N ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -88.07 131.66 34.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.458 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . 6.6 m -106.96 111.2 23.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.18 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.501 HD21 HG12 ' A' ' 65' ' ' ILE . 1.1 mp -119.38 159.63 23.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.01 111.76 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -113.33 160.4 18.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -66.09 132.12 47.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -74.86 161.69 29.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 69.6 p -62.18 104.57 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 m -162.66 125.51 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.1 p -97.22 172.96 7.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 40.2 t -115.1 152.96 31.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.7 t -56.76 135.52 55.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 60.5 p -140.8 142.11 27.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -168.87 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.7 2.267 . . . . 0.0 112.316 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.577 HD23 ' H ' ' A' ' 114' ' ' LEU . 1.3 pt? -92.84 -32.88 14.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.42 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 13.6 tt0 -134.96 71.55 69.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.728 . . . . 0.0 110.92 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 146.15 59.32 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 96.75 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.659 2.239 . . . . 0.0 112.303 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.9 m -102.76 -54.16 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -118.69 107.55 13.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -55.69 -48.47 75.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -123.72 -133.47 4.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.465 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 123' ' ' VAL . 7.3 t -152.79 151.57 30.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 111.173 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 122' ' ' THR . 32.8 m 41.67 37.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.6 m -107.58 125.38 51.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.406 ' HA2' ' HD2' ' A' ' 126' ' ' PRO . . . 106.37 99.7 2.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.406 ' HD2' ' HA2' ' A' ' 125' ' ' GLY . 53.9 Cg_endo -69.75 158.71 56.02 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.391 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.2 t -65.2 141.53 58.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 19.3 m -86.7 140.65 29.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 m -156.11 159.13 38.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -119.06 174.3 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.77 91.55 0.12 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.7 p -142.19 142.15 32.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -144.36 156.89 44.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.25 -117.22 0.82 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.58 115.64 0.21 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.454 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.6 t -111.12 42.44 1.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.435 ' CA ' HD21 ' A' ' 13' ' ' LEU . 1.7 m-20 53.21 42.95 32.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.9 p -96.84 -56.03 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.2 m -104.55 72.06 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.435 HD21 ' CA ' ' A' ' 10' ' ' ASP . 3.9 mm? -74.02 -28.87 61.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.957 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 11.7 m-85 -118.11 151.47 37.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -117.26 141.45 48.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.7 m -109.4 144.84 37.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -155.5 151.22 27.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.05 135.0 43.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.464 ' HB ' HD11 ' A' ' 65' ' ' ILE . 2.2 t -113.9 117.87 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.795 ' HG3' HG13 ' A' ' 97' ' ' VAL . 18.3 tt0 -92.68 90.12 6.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.769 HD11 HD12 ' A' ' 65' ' ' ILE . 79.7 mt -78.18 147.66 34.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -111.49 132.01 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -111.06 107.21 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -52.04 -178.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -72.25 82.26 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.99 -43.21 1.39 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -52.65 139.99 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.339 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 m -101.44 159.78 14.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 tp -37.76 -69.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.541 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 89.68 55.33 2.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.445 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' ' 59' ' ' ALA . 66.1 mt -143.4 126.07 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.347 . . . . 0.0 111.072 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -99.98 138.65 36.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.0 pt -117.2 164.01 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.08 160.03 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -117.33 85.79 0.4 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -76.76 146.88 37.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.942 0.401 . . . . 0.0 110.923 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.6 t -123.47 -32.0 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.58 137.59 8.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.4 t -145.13 -178.41 6.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 0.0 111.173 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.545 ' O ' ' CG ' ' A' ' 41' ' ' HIS . 3.4 m 60.53 28.47 18.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 40' ' ' SER . 26.3 p80 46.22 38.63 5.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.7 p -93.92 -41.04 9.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 44.86 42.52 7.86 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.528 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -116.04 13.84 15.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -173.23 107.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.062 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.9 p -153.92 112.07 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.33 -153.05 23.56 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.3 mm -102.04 124.16 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 76.3 m-85 -130.1 145.89 51.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.558 HG23 HD11 ' A' ' 71' ' ' ILE . 55.2 t -66.36 104.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -67.71 -38.23 83.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -165.41 175.96 8.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.718 HG21 ' HA ' ' A' ' 66' ' ' GLN . 90.5 t -143.35 114.14 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.735 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.4 mp -57.93 132.55 83.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HD2' HG23 ' A' ' 54' ' ' ILE . 53.5 Cg_endo -69.75 157.82 59.07 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.356 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.54 32.08 68.18 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.1 p -118.92 -176.35 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.361 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.67 -52.61 35.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.136 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.623 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -57.48 -46.67 83.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -63.33 -55.97 20.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -50.29 -56.16 12.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -47.64 -46.77 29.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.33 34.45 50.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -123.44 -32.06 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.786 0.327 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.769 HD12 HD11 ' A' ' 21' ' ' LEU . 21.1 mt -111.96 102.12 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.718 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -140.64 175.74 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.7 m -42.31 164.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 60.6 45.99 9.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -138.42 135.8 35.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 4.0 ttpt -102.72 114.45 28.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.558 HD11 HG23 ' A' ' 50' ' ' VAL . 5.1 mp -86.44 124.14 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.3 m -104.77 -22.23 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.569 ' HB3' ' HB ' ' A' ' 101' ' ' THR . . . -158.75 151.4 21.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.404 HG11 HD23 ' A' ' 91' ' ' LEU . 98.1 t -131.86 119.48 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.544 ' OD1' HG13 ' A' ' 98' ' ' VAL . 0.7 OUTLIER 59.94 36.34 21.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.23 26.62 61.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.7 t -124.39 118.35 53.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.847 0.356 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -66.32 96.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.439 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 5.9 pt -92.61 18.19 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -59.33 93.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.18 -19.57 13.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.4 m-85 -47.7 134.07 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -71.04 153.14 42.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.632 ' O ' HG23 ' A' ' 88' ' ' VAL . 20.6 t-20 -34.44 -57.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -64.81 -46.79 80.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.502 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.3 m-20 -51.56 -32.81 29.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' ' 82' ' ' PHE . 77.8 t -81.64 -33.59 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 84' ' ' ASN . 72.9 t -58.81 -51.53 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.42 -41.54 72.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 86' ' ' ASP . 91.5 t -55.99 -39.93 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.404 HD23 HG11 ' A' ' 74' ' ' VAL . 34.4 mt -65.88 -47.03 76.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -58.05 -43.45 86.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -58.9 -36.35 74.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.84 145.37 55.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -104.64 -150.07 20.12 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -48.81 -60.9 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.795 HG13 ' HG3' ' A' ' 20' ' ' GLU . 81.9 t -73.59 101.54 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.544 HG13 ' OD1' ' A' ' 75' ' ' ASP . 65.6 t -110.98 104.35 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 11.2 m80 -89.39 92.42 9.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.56 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -83.41 132.63 34.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.569 ' HB ' ' HB3' ' A' ' 73' ' ' ALA . 15.7 m -106.78 110.29 22.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.56 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -122.39 165.08 16.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.6 p -139.7 106.56 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -104.45 160.35 14.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -71.16 126.48 29.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.456 ' HD2' ' C ' ' A' ' 14' ' ' PHE . 14.2 mtpt -72.79 168.5 18.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 89.7 m -75.85 -52.59 10.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 m -147.29 136.28 22.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.2 t -84.05 118.57 24.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.8 p -116.26 -40.72 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 34.7 p -71.94 131.19 42.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.088 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.2 p -145.09 137.6 13.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.696 0.76 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -164.65 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.364 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.1 mt -93.31 -39.21 11.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -125.22 67.35 55.01 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.56 51.23 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.665 2.244 . . . . 0.0 112.336 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 165.73 29.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.721 2.281 . . . . 0.0 112.353 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.2 p -114.14 106.28 14.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.812 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -117.61 162.88 17.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -131.71 146.79 52.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -156.22 177.74 33.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.9 t -164.64 150.51 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 111.152 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.0 p -93.6 139.18 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.1 m -98.26 178.31 5.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -112.69 84.46 0.36 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 177.06 5.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.5 t -110.88 171.45 7.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.7 t 61.48 42.33 11.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -169.27 170.87 8.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -168.79 159.53 9.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.54 -126.74 2.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t 63.46 42.4 6.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.1 m -102.57 112.36 25.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.17 -118.19 1.43 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 126.43 131.18 3.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.4 m -151.26 118.98 6.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -33.95 55.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.2 p -44.1 -27.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.1 m -82.58 33.75 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 21.2 mt -40.71 -27.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.658 ' HB3' HG22 ' A' ' 103' ' ' VAL . 8.9 m-85 -111.15 157.62 19.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -124.02 131.66 53.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.3 m -97.06 144.19 27.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.409 ' CE1' ' NE ' ' A' ' 104' ' ' ARG . 48.3 p90 -151.18 153.65 35.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.03 132.03 51.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.552 ' HB ' HD11 ' A' ' 65' ' ' ILE . 2.0 t -113.14 109.91 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.893 ' HG3' HG13 ' A' ' 97' ' ' VAL . 32.4 tt0 -86.96 88.58 7.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.962 HD11 HD12 ' A' ' 65' ' ' ILE . 47.3 mt -79.85 137.23 36.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -102.09 132.22 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -101.57 99.54 9.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -50.87 179.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -60.86 89.85 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.9 -39.49 2.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.518 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -48.86 119.56 3.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.5 m -86.44 173.0 9.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 tp -56.53 -65.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.04 55.47 3.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 59' ' ' ALA . 83.5 mt -137.16 120.3 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 111.129 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -96.13 139.0 32.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.6 pt -117.96 173.14 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 p -152.03 149.47 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.444 ' N ' HD21 ' A' ' 84' ' ' ASN . . . -102.7 115.28 5.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -98.51 150.44 21.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.946 0.403 . . . . 0.0 110.884 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.1 m -126.37 -24.8 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.36 97.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.4 t -125.82 -25.85 3.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.136 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.4 t -66.52 143.25 57.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' THR . 1.3 p80 -58.82 156.22 11.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 41' ' ' HIS . 9.7 t 35.33 50.43 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.68 50.23 0.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.77 120.14 11.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.77 112.04 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.9 p -136.72 113.96 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.25 -169.65 42.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.7 mm -99.96 122.16 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.161 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.522 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 37.1 m-85 -129.06 148.67 51.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.5 t -63.9 120.18 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -78.83 -40.54 32.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.437 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 1.8 m -167.74 169.46 11.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.553 HG21 ' HA ' ' A' ' 66' ' ' GLN . 17.4 t -130.19 129.56 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.537 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.3 mp -75.86 124.93 88.76 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.719 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 121.87 8.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.0 16.57 18.69 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.7 p -112.82 176.18 5.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 0.0 110.893 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.94 -46.95 87.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.07 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.585 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -58.5 -32.88 69.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -82.17 -18.96 40.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.979 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -77.32 -46.29 23.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.42 -40.22 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.72 18.73 78.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.41 ' CA ' HE22 ' A' ' 66' ' ' GLN . 11.5 m80 -106.04 -15.5 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.962 HD12 HD11 ' A' ' 21' ' ' LEU . 38.2 mt -122.24 95.11 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.553 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -134.93 177.91 7.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.437 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 16.3 m -50.36 165.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 64.94 38.37 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -130.93 157.53 42.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.522 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.8 ttpt -119.36 126.19 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.447 HG23 HD11 ' A' ' 100' ' ' LEU . 41.3 mt -94.36 123.87 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.528 ' CG2' HG22 ' A' ' 101' ' ' THR . 3.1 m -102.79 -34.12 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -150.84 149.81 30.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.781 HG11 HD23 ' A' ' 91' ' ' LEU . 48.3 t -132.41 110.09 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.06 39.03 13.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.6 24.6 67.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 79' ' ' ILE . 71.4 t -119.23 108.42 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.153 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -64.14 93.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 81' ' ' GLY . 6.5 pt -88.45 10.08 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -58.48 78.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 122.71 17.65 3.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -87.96 149.13 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -73.59 145.58 45.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.055 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' ALA . 4.5 m120 -34.52 -61.32 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -59.36 -45.02 92.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.669 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.6 m-20 -52.53 -29.35 24.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.3 t -83.39 -35.27 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 84' ' ' ASN . 75.3 t -60.71 -41.71 89.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 4.4 pt-20 -68.26 -31.64 71.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 86' ' ' ASP . 93.7 t -65.66 -46.13 90.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.781 HD23 HG11 ' A' ' 74' ' ' VAL . 15.2 mt -62.12 -42.56 99.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -64.82 -37.81 88.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 89' ' ' GLU . 28.6 m-80 -63.65 -32.82 74.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.22 148.53 36.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.51 -158.66 28.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -43.81 -61.04 1.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.893 HG13 ' HG3' ' A' ' 20' ' ' GLU . 90.9 t -73.94 96.55 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 56.4 t -102.72 97.23 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 5.2 m80 -82.04 94.78 7.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.515 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -85.68 125.59 33.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.528 HG22 ' CG2' ' A' ' 72' ' ' VAL . 6.5 m -102.48 116.38 32.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -135.37 160.08 39.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.658 HG22 ' HB3' ' A' ' 14' ' ' PHE . 2.5 p -132.66 121.28 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.409 ' NE ' ' CE1' ' A' ' 17' ' ' TYR . 70.1 mtm180 -108.01 155.45 20.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.491 ' HD2' ' CE2' ' A' ' 14' ' ' PHE . 37.9 ttt180 -78.47 120.89 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.45 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 8.9 mttm -54.63 -178.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 108' ' ' SER . 39.8 p -73.52 178.64 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 107' ' ' THR . 33.0 m -36.71 138.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 91.5 p -117.02 -178.5 3.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.4 m -58.45 166.02 1.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.807 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 58.5 p 44.63 45.54 8.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.185 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.0 p -69.7 144.77 94.16 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.665 0.745 . . . . 0.0 110.902 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -166.83 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.254 . . . . 0.0 112.326 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 28.8 mt -104.16 -56.65 2.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -125.62 68.89 61.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 166.52 27.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 140.87 43.83 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.2 m -148.2 149.19 31.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -80.38 145.8 31.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -125.61 142.37 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.56 178.03 53.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 10.6 t -109.18 146.77 33.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.831 0.348 . . . . 0.0 111.135 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 88.9 t -144.79 113.91 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.3 t -81.63 159.72 23.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -105.94 170.5 16.97 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 179.73 3.47 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.248 . . . . 0.0 112.327 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.6 m -138.83 174.72 10.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 15.8 m 56.26 43.3 26.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.481 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m 65.38 41.37 4.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -67.15 -48.6 67.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.89 -101.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t 68.71 40.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.932 0.396 . . . . 0.0 110.903 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -140.86 151.84 44.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.2 -141.97 15.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.53 124.14 2.51 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 t -167.22 154.39 8.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.532 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -85.46 84.18 7.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 m -95.23 -74.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 m -88.88 83.46 6.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.642 HD12 HD22 ' A' ' 114' ' ' LEU . 3.8 mm? -79.65 -27.46 40.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.483 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 9.5 m-85 -111.78 167.86 10.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -131.7 121.11 23.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 85.6 m -83.82 127.87 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 102' ' ' LEU . 25.2 p90 -131.0 147.29 52.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.82 142.85 33.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' A' ' 64' ' ' HIS . 1.3 t -125.37 109.53 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.613 ' HG3' HG13 ' A' ' 97' ' ' VAL . 27.5 tt0 -86.47 91.19 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.477 HD11 HD12 ' A' ' 65' ' ' ILE . 59.5 mt -78.86 154.61 29.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 22' ' ' VAL . 9.2 p -116.59 129.43 73.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -99.09 104.62 16.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' N ' ' HB3' ' A' ' 27' ' ' GLN . 52.4 mttt -59.72 -179.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.61 89.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 79.18 36.28 27.95 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.443 ' HB3' ' N ' ' A' ' 24' ' ' LYS . 6.5 tp60 -103.31 122.37 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.93 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 m -80.43 168.71 18.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.579 ' CD2' HD22 ' A' ' 91' ' ' LEU . 11.1 tp -61.8 -62.89 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.11 48.34 5.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.527 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.7 mt -131.62 110.71 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.345 . . . . 0.0 111.113 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.519 ' HG2' HD11 ' A' ' 54' ' ' ILE . 16.2 mmm180 -84.68 131.26 34.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.5 pt -110.85 175.96 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.3 p -156.76 143.44 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.45 115.4 4.71 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -98.55 155.81 17.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.926 0.393 . . . . 0.0 110.924 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.6 m -128.4 -27.57 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.35 140.13 0.33 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t -123.57 32.45 5.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 111.124 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.1 t -145.75 145.86 31.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -73.9 -55.57 6.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.0 p -70.53 128.56 36.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.29 77.49 0.2 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.451 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -59.18 151.73 22.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.66 24.45 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 p -84.7 131.77 34.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.53 -171.01 31.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 mm -96.96 123.49 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.442 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 81.1 m-85 -123.67 153.64 40.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.2 t -75.92 105.56 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -70.01 -41.85 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -159.2 169.73 23.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.51 HG21 ' HA ' ' A' ' 66' ' ' GLN . 53.8 t -131.59 98.97 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.6 mp -52.31 123.06 27.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.63 0.728 . . . . 0.0 111.128 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 154.54 67.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.33 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.19 14.43 80.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 p -112.11 179.15 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.841 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.02 79.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.46 -47.6 78.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -67.8 -41.48 83.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -59.02 -47.07 86.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -58.42 -57.95 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.52 28.84 18.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.503 ' HB2' HG11 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -116.83 -40.57 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.477 HD12 HD11 ' A' ' 21' ' ' LEU . 22.2 mt -95.28 114.52 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.51 ' HA ' HG21 ' A' ' 53' ' ' VAL . 2.9 mp0 -130.45 -175.1 3.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 33.1 m -67.42 174.37 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 57.85 29.87 18.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -120.03 146.78 45.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 11.1 ttpt -107.56 145.83 32.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.605 ' CG2' HD11 ' A' ' 79' ' ' ILE . 4.1 mp -111.71 145.33 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 m -124.4 -27.2 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.33 147.7 24.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.599 HG11 HD23 ' A' ' 91' ' ' LEU . 86.7 t -130.09 116.07 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.7 t70 63.31 28.61 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.34 10.14 68.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.9 t -108.74 120.13 59.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -68.97 91.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.605 HD11 ' CG2' ' A' ' 71' ' ' ILE . 8.0 pt -83.42 14.94 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -58.8 96.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.01 -10.28 31.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 4.1 m-85 -62.0 132.68 53.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.82 151.99 32.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 88' ' ' VAL . 5.2 m120 -38.65 -50.78 1.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 86' ' ' ASP . 12.9 p-80 -69.8 -45.14 68.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.655 ' O ' HG23 ' A' ' 90' ' ' VAL . 32.1 m-20 -50.94 -31.14 16.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.5 t -80.35 -38.43 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 84' ' ' ASN . 75.6 t -54.27 -55.46 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 5.9 pt-20 -53.6 -34.91 60.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 86' ' ' ASP . 59.0 t -61.59 -44.39 98.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.599 HD23 HG11 ' A' ' 74' ' ' VAL . 18.1 mt -60.95 -43.0 99.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -63.18 -40.13 96.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -62.38 -37.69 86.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.12 147.53 24.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.39 -153.92 30.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -52.23 -58.98 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.613 HG13 ' HG3' ' A' ' 20' ' ' GLU . 85.7 t -73.7 102.02 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 55.0 t -108.02 108.01 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -92.13 99.51 12.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.615 HD12 ' CD1' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -90.22 115.57 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.0 m -91.44 114.25 26.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.615 ' CD1' HD12 ' A' ' 100' ' ' LEU . 2.1 mp -122.77 156.95 33.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 2.9 p -119.64 116.95 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -98.84 160.94 13.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -91.89 117.1 29.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -64.76 164.6 11.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.2 m -161.86 148.12 13.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 m -39.28 109.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.472 ' OG ' HG22 ' A' ' 111' ' ' THR . 61.9 p -167.62 -179.09 4.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.1 m -44.81 -42.41 7.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.472 HG22 ' OG ' ' A' ' 109' ' ' SER . 4.8 t -68.37 179.79 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 80.6 p -55.24 136.93 68.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.667 0.746 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -177.25 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.312 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.642 HD22 HD12 ' A' ' 13' ' ' LEU . 28.3 mt -81.67 -31.99 31.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -134.12 71.3 73.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.01 19.89 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 5.47 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.241 . . . . 0.0 112.35 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 119' ' ' ASP . 8.3 t -53.35 168.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 118' ' ' SER . 0.4 OUTLIER -34.51 148.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -79.28 -69.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.26 -113.04 4.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.458 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 41.5 p -123.25 171.22 9.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 111.108 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 35.3 m -147.62 174.43 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.6 m -161.19 156.52 24.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -102.44 123.65 7.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.447 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.0 t -174.22 165.83 4.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.6 m -113.9 -52.86 2.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.9 p -89.36 167.69 12.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -121.6 166.64 13.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.46 97.23 0.11 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 t -158.21 140.84 14.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.919 0.39 . . . . 0.0 110.82 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -115.92 131.87 56.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.18 -162.21 26.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.97 -175.46 15.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 m -114.04 -179.42 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.363 . . . . 0.0 110.882 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.531 ' OD1' HD11 ' A' ' 13' ' ' LEU . 27.9 t70 -84.9 44.39 1.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.3 t -89.92 -58.5 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.9 p -113.67 82.75 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.655 HD22 ' N ' ' A' ' 13' ' ' LEU . 1.4 mm? -79.0 -24.74 43.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.467 ' HB3' HG22 ' A' ' 103' ' ' VAL . 12.0 m-85 -106.14 172.85 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -136.2 126.63 26.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -96.16 136.66 36.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 102' ' ' LEU . 27.0 p90 -139.49 143.32 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -96.01 131.15 42.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.513 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.5 t -118.75 115.1 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.512 ' HG3' HG13 ' A' ' 97' ' ' VAL . 11.3 tt0 -90.92 98.07 11.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.923 HD11 ' CD1' ' A' ' 65' ' ' ILE . 59.1 mt -88.28 140.43 29.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.4 p -105.64 145.19 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -111.9 100.87 9.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -47.86 175.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -56.88 95.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.48 39.93 29.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.455 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -111.47 145.59 38.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.5 m -92.88 -179.23 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.559 ' CD2' HD22 ' A' ' 91' ' ' LEU . 10.0 tp -74.57 -69.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.11 47.1 3.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.7 mt -128.31 118.81 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.115 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.442 ' HG2' HD11 ' A' ' 54' ' ' ILE . 12.9 mmm180 -90.95 126.98 36.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.3 pt -110.71 169.95 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -151.9 140.75 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.0 99.52 1.54 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -83.97 151.03 25.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.924 0.392 . . . . 0.0 110.885 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 38' ' ' GLY . 27.6 m -129.69 -29.28 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.099 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 37' ' ' VAL . . . -35.28 115.2 0.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.513 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 40' ' ' SER . 9.8 t -118.75 -41.7 2.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.798 0.332 . . . . 0.0 111.13 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.413 ' N ' HG23 ' A' ' 39' ' ' THR . 5.3 t -72.13 -57.07 4.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.417 ' CD2' ' HA3' ' A' ' 38' ' ' GLY . 5.4 p80 -40.67 140.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.0 t -40.26 141.99 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 63.81 73.22 0.57 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -41.9 122.77 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.87 106.98 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.1 p -147.5 132.48 18.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.86 -172.82 21.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.7 mm -94.51 124.76 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.533 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 96.7 m-85 -129.67 147.58 51.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.1 t -70.87 94.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -58.47 -42.46 87.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 m -161.28 172.75 16.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 66' ' ' GLN . 97.2 t -130.08 105.73 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.461 ' H ' HD12 ' A' ' 54' ' ' ILE . 3.6 mp -57.55 130.22 81.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.613 0.72 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 160.05 51.18 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.332 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.14 27.84 60.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 p -121.87 162.21 21.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -43.72 -55.66 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.31 -53.49 17.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -59.71 -46.08 90.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -50.35 -60.32 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -34.33 71.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.03 34.16 88.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.513 ' HB2' HG11 ' A' ' 19' ' ' VAL . 19.2 m80 -111.01 -39.25 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.318 . . . . 0.0 110.803 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.923 ' CD1' HD11 ' A' ' 21' ' ' LEU . 17.1 mt -93.26 107.34 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.432 ' HA ' HG21 ' A' ' 53' ' ' VAL . 14.4 mp0 -126.7 170.37 12.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.4 m -55.27 174.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 61.11 34.61 18.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -128.13 146.49 50.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.533 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 2.4 ttpt -107.45 115.2 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.575 HG23 HD11 ' A' ' 100' ' ' LEU . 18.7 mt -82.88 124.11 39.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.9 m -108.98 -24.9 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' A' ' 101' ' ' THR . . . -154.46 144.22 21.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.613 HG11 HD23 ' A' ' 91' ' ' LEU . 61.5 t -127.5 118.71 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 t70 61.25 33.97 18.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.32 23.24 63.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.442 ' O ' HG23 ' A' ' 79' ' ' ILE . 73.0 t -120.3 113.91 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.843 0.354 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -62.26 88.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.557 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.6 pt -84.34 17.04 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -58.16 96.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.41 -18.23 20.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 5.8 m-85 -51.9 129.8 27.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -65.64 154.68 38.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 83' ' ' ALA . 13.1 t-20 -34.57 -69.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -56.58 -38.36 71.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -57.02 -29.16 63.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.0 t -84.53 -37.61 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.491 ' HA ' HD12 ' A' ' 91' ' ' LEU . 90.9 t -56.88 -51.95 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -53.71 -41.8 67.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.73 -43.23 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.613 HD23 HG11 ' A' ' 74' ' ' VAL . 14.5 mt -63.34 -47.98 79.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -58.24 -43.36 87.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -61.18 -39.51 90.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.629 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -46.25 149.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.14 -148.64 22.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -59.31 -58.12 10.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.512 HG13 ' HG3' ' A' ' 20' ' ' GLU . 90.4 t -78.13 98.68 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.629 HG22 ' HB1' ' A' ' 94' ' ' ALA . 98.8 t -109.22 102.47 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.409 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 11.8 m80 -89.04 102.59 15.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.575 HD11 HG23 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -88.55 135.38 33.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.546 ' HB ' ' HB3' ' A' ' 73' ' ' ALA . 26.5 m -109.76 106.22 15.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.579 HD21 HG23 ' A' ' 65' ' ' ILE . 0.7 OUTLIER -117.43 158.49 24.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.467 HG22 ' HB3' ' A' ' 14' ' ' PHE . 2.6 p -141.54 109.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -107.34 152.66 23.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.7 ttt85 -65.37 125.3 24.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 13.4 mttm -61.19 -178.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.5 m -89.03 121.09 31.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.5 p -58.78 163.34 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 89.1 p -100.6 103.04 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.813 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.3 t -97.65 129.81 44.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.1 m -79.28 95.71 5.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 55.9 p -51.46 112.8 3.37 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.646 0.736 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -166.39 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.561 HD12 ' HB2' ' A' ' 115' ' ' GLU . 2.9 pp -82.67 -39.25 22.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.561 ' HB2' HD12 ' A' ' 114' ' ' LEU . 36.6 tt0 -131.86 69.71 80.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.618 0.723 . . . . 0.0 110.846 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 140.54 43.0 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 110.68 2.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.5 p -122.53 155.17 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -147.52 152.79 38.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -59.37 158.39 9.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 162.48 136.12 1.94 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 9.5 t -169.6 152.02 4.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 91.0 t -127.06 137.14 58.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 57.2 p -91.24 174.29 7.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -171.82 97.07 0.11 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 125.82 12.57 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 37.1 t -119.48 87.15 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 59.4 p -86.06 124.17 32.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.475 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -76.07 142.43 41.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m -96.21 -56.3 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.29 63.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -173.46 122.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.877 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -107.8 139.18 42.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.01 -78.34 1.4 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.519 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.404 ' H ' ' CG ' ' A' ' 116' ' ' PRO . . . -53.74 -169.89 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.48 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.7 t -145.51 113.63 6.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.84 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 41.47 40.82 1.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.0 m -76.14 -64.28 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.8 m -102.72 85.63 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.7 mm? -64.82 -34.1 77.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.462 ' CD2' ' HA ' ' A' ' 105' ' ' ARG . 5.3 m-85 -107.51 169.27 8.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -131.95 134.83 46.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.2 m -95.9 147.41 23.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 104' ' ' ARG . 40.9 p90 -153.28 149.8 28.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.36 130.33 47.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.711 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.3 t -112.94 118.01 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.814 ' HG3' HG13 ' A' ' 97' ' ' VAL . 14.7 tt0 -94.82 93.44 7.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.723 HD21 HD12 ' A' ' 65' ' ' ILE . 52.9 mt -73.66 170.05 16.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 p -132.79 134.62 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -113.15 106.65 14.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -51.8 -175.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -81.62 46.49 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 152.84 34.82 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.533 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.429 ' HG2' ' N ' ' A' ' 28' ' ' SER . 44.8 tt0 -130.75 155.5 46.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.429 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 1.8 t -110.28 178.97 4.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.496 ' HG ' HD12 ' A' ' 31' ' ' ILE . 9.6 tp -67.96 -53.95 22.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.73 50.42 24.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.62 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 78.6 mt -134.92 102.74 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.136 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.1 mmm-85 -78.67 137.58 37.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.0 pt -111.49 168.89 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 p -146.11 144.79 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.63 110.26 3.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -90.76 148.64 22.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.94 0.4 . . . . 0.0 110.896 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.2 t -123.83 -23.07 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.81 137.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.2 t -134.07 174.55 10.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.749 0.309 . . . . 0.0 111.146 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 t -47.77 -51.87 20.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -40.35 154.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.9 p -46.77 169.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.63 74.51 0.41 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -94.75 124.62 38.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.916 0.388 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -163.94 140.45 6.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.1 m -139.22 146.06 40.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 136.0 -154.91 22.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.3 mm -112.33 129.79 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.563 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 13.7 m-85 -133.89 154.87 50.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.51 117.62 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -80.53 -47.65 13.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.0 p -149.15 168.77 22.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.804 HG21 ' HA ' ' A' ' 66' ' ' GLN . 88.7 t -134.69 78.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.812 ' H ' HD12 ' A' ' 54' ' ' ILE . 5.1 mp -37.48 130.15 0.85 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.742 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 163.96 36.33 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.366 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.94 22.29 59.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 p -116.94 166.46 12.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.83 -43.39 59.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.62 ' HB2' ' CG1' ' A' ' 31' ' ' ILE . . . -60.16 -57.07 14.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -56.77 -44.12 81.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -63.38 -45.71 89.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -57.92 -57.72 11.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.87 26.56 37.34 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.711 ' HB2' HG11 ' A' ' 19' ' ' VAL . 74.5 m80 -119.89 -26.86 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.754 0.312 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.723 HD12 HD21 ' A' ' 21' ' ' LEU . 16.4 mt -114.56 100.24 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.804 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -129.43 176.43 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.467 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 30.7 m -50.54 178.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.492 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.4 OUTLIER 49.06 35.16 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -124.06 139.75 53.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.563 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.0 ttpt -103.42 136.08 43.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.541 HG12 HD11 ' A' ' 100' ' ' LEU . 20.8 mt -106.8 139.72 27.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.45 ' CG2' HG22 ' A' ' 101' ' ' THR . 3.4 m -120.67 -20.52 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.51 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -160.76 148.26 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.89 HG11 HD23 ' A' ' 91' ' ' LEU . 55.7 t -130.93 123.81 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 t0 59.81 29.68 19.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.24 22.03 61.53 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.507 ' O ' HG23 ' A' ' 79' ' ' ILE . 69.5 t -119.77 115.33 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.373 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -59.93 96.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.537 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 5.9 pt -91.78 17.65 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -59.73 93.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.89 -17.46 15.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.537 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 5.0 m-85 -50.92 131.62 26.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.654 ' HB3' ' OD2' ' A' ' 86' ' ' ASP . . . -65.74 157.29 30.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.439 ' O ' HG23 ' A' ' 88' ' ' VAL . 26.0 t-20 -36.83 -65.38 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -59.17 -43.97 92.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.654 ' OD2' ' HB3' ' A' ' 83' ' ' ALA . 49.5 m-20 -50.36 -32.18 16.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.2 t -84.32 -42.46 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 84' ' ' ASN . 94.6 t -54.65 -43.47 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 10.4 pt-20 -63.75 -35.48 80.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 86' ' ' ASP . 95.3 t -63.1 -43.63 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.89 HD23 HG11 ' A' ' 74' ' ' VAL . 44.3 mt -63.64 -44.17 94.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.964 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.7 mtp-105 -60.69 -39.66 89.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -63.35 -40.1 96.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.543 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -50.38 160.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.092 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 98' ' ' VAL . . . -114.45 -158.7 12.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -43.39 -53.92 5.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.814 HG13 ' HG3' ' A' ' 20' ' ' GLU . 86.6 t -84.9 103.47 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.543 HG22 ' HB1' ' A' ' 94' ' ' ALA . 98.1 t -111.46 104.37 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 9.5 m80 -86.59 95.68 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.671 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -84.74 130.26 34.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.51 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . 10.6 m -104.98 111.62 24.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.671 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -128.05 161.05 30.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.433 HG22 ' HB3' ' A' ' 14' ' ' PHE . 2.8 p -134.15 110.75 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.46 ' HD3' ' CE1' ' A' ' 17' ' ' TYR . 9.9 ptt180 -104.49 147.83 27.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.486 ' HD2' ' N ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -62.54 138.37 58.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.486 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 29.6 mttt -75.66 -174.73 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.0 p -142.83 179.01 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 65.8 p -41.16 -50.85 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.8 p -73.35 166.69 22.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.7 t 63.66 46.31 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.1 t -53.97 148.71 10.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.2 m -44.68 156.82 0.34 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.694 0.759 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -174.06 0.83 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.686 2.257 . . . . 0.0 112.41 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.442 ' CD1' ' HG2' ' A' ' 115' ' ' GLU . 4.1 pp -76.49 -28.8 56.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.442 ' HG2' ' CD1' ' A' ' 114' ' ' LEU . 5.1 pt-20 -134.12 69.11 74.5 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.607 0.718 . . . . 0.0 110.843 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.404 ' CG ' ' H ' ' A' ' 8' ' ' GLY . 54.1 Cg_endo -69.76 156.98 61.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.263 . . . . 0.0 112.37 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 90.99 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.1 p -47.2 149.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -170.46 146.45 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -130.86 149.67 52.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.822 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 143.16 65.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.4 t -131.11 129.28 41.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 111.116 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 92.2 t -146.19 121.35 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.5 t -148.81 153.58 38.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -135.04 167.52 24.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 145.91 58.87 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.734 2.289 . . . . 0.0 112.319 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.2 t -66.34 81.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 18.3 t -67.59 173.41 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.797 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 m -65.81 -53.23 42.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.839 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 t -155.61 141.62 18.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.0 83.63 0.64 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -97.54 141.29 30.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 m -71.94 -53.48 12.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.7 -97.64 0.14 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.16 106.97 0.23 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.8 p -137.13 152.13 49.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.825 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -78.84 96.9 5.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 12' ' ' SER . 4.7 t -137.76 148.76 45.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' SER . 13.2 m 34.94 53.95 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.8 mm? -58.2 -26.92 63.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CD2' ' HA ' ' A' ' 105' ' ' ARG . 5.8 m-85 -114.52 169.33 9.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -130.03 137.98 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 m -101.59 141.49 34.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -145.16 147.52 32.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -99.95 140.91 33.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.0 t -123.63 118.0 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.527 ' HG2' HG13 ' A' ' 97' ' ' VAL . 3.4 tm-20 -92.21 100.69 13.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.736 HD11 ' CD1' ' A' ' 65' ' ' ILE . 47.7 mt -90.48 147.93 23.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -109.6 134.43 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -103.16 106.29 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -53.13 178.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -67.93 74.41 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.75 44.62 1.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -124.52 140.62 52.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 29' ' ' LEU . 1.1 t -95.25 146.09 24.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.522 HD11 HD12 ' A' ' 21' ' ' LEU . 11.8 tp -36.51 -54.14 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.73 47.68 7.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.478 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.538 HD11 ' HB2' ' A' ' 59' ' ' ALA . 70.4 mt -135.2 113.37 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 111.087 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HG2' HD11 ' A' ' 54' ' ' ILE . 18.8 mmm-85 -82.08 135.34 35.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.8 pt -110.89 169.95 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 p -148.34 157.14 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.92 132.91 11.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -130.09 149.02 51.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 110.931 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.7 m -125.49 -22.76 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.47 145.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 t -98.56 169.09 9.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 111.13 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.6 t -53.84 97.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -157.64 -178.21 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.5 p -79.78 95.83 6.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.32 64.62 3.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -83.32 143.31 30.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.11 131.12 7.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.2 p -160.69 125.52 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.87 -146.59 17.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.442 HG13 HG21 ' A' ' 87' ' ' VAL . 25.0 mm -109.31 124.12 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.887 0.375 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.585 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 43.6 m-85 -124.84 168.24 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.0 t -87.79 98.65 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -46.41 81.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.8 m -159.31 169.36 24.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.503 HG21 ' HA ' ' A' ' 66' ' ' GLN . 83.3 t -127.37 109.92 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.1 mp -63.46 124.57 84.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.624 0.726 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 147.18 62.64 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.719 2.279 . . . . 0.0 112.38 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.3 14.65 81.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.1 p -110.69 176.09 5.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.73 -42.61 79.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.538 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -62.78 -55.84 22.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -62.27 -33.58 74.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -68.29 -36.64 79.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -68.03 -68.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.31 18.16 12.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.541 ' HB2' HG11 ' A' ' 19' ' ' VAL . 10.6 m170 -110.23 -39.67 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.736 ' CD1' HD11 ' A' ' 21' ' ' LEU . 33.1 mt -94.2 117.44 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.503 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -138.34 173.88 11.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.31 168.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 63.94 30.06 14.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -120.52 138.49 53.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.585 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -100.79 123.08 44.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 75.1 mt -88.57 140.32 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.443 HG12 ' CD ' ' A' ' 80' ' ' GLN . 2.0 m -120.2 -33.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.54 150.14 32.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.5 HG11 HD23 ' A' ' 91' ' ' LEU . 42.7 t -134.68 110.25 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 t70 67.84 29.4 6.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.31 0.47 84.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.2 t -97.41 113.94 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -66.28 101.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 81' ' ' GLY . 6.1 pt -95.69 13.38 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.443 ' CD ' HG12 ' A' ' 72' ' ' VAL . 13.4 mm100 -60.18 76.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 128.89 15.76 2.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -88.99 146.68 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.611 ' HB3' ' CE1' ' A' ' 85' ' ' HIS . . . -76.91 146.66 37.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.668 ' O ' HG23 ' A' ' 88' ' ' VAL . 8.1 m120 -35.25 -47.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.611 ' CE1' ' HB3' ' A' ' 83' ' ' ALA . 13.5 p80 -69.15 -44.17 72.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.651 ' O ' HG23 ' A' ' 90' ' ' VAL . 27.9 m-20 -58.32 -26.83 63.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.442 HG21 HG13 ' A' ' 48' ' ' ILE . 86.4 t -84.07 -32.7 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 84' ' ' ASN . 83.8 t -60.89 -47.89 91.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -61.4 -33.51 73.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 86' ' ' ASP . 74.9 t -62.28 -44.97 99.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.5 HD23 HG11 ' A' ' 74' ' ' VAL . 12.5 mt -63.6 -44.38 94.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -62.94 -42.48 99.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -63.3 -31.11 72.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.415 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -59.24 145.55 42.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.05 -157.29 33.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.539 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -52.88 -61.53 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.925 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.527 HG13 ' HG2' ' A' ' 20' ' ' GLU . 89.6 t -73.01 99.18 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.415 HG22 ' HB1' ' A' ' 94' ' ' ALA . 98.6 t -107.05 113.82 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.421 ' NE2' ' HB2' ' A' ' 20' ' ' GLU . 6.6 m80 -96.82 96.79 8.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.32 126.4 33.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.8 m -100.79 115.67 30.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.658 ' N ' HD12 ' A' ' 102' ' ' LEU . 0.8 OUTLIER -125.73 155.4 41.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.8 p -127.7 112.78 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -107.46 143.8 35.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.529 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 2.1 tmt_? -66.27 137.55 57.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -80.15 -176.0 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.1 p -86.67 167.98 14.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 m -41.49 -44.76 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 90.5 p -70.32 138.76 51.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.8 m -150.06 127.63 11.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.8 m -58.53 139.64 55.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.6 m -77.48 115.9 53.36 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.682 0.753 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 178.09 4.94 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.341 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 mp -95.46 -48.08 6.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -132.57 68.93 79.74 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 153.31 69.23 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 172.41 12.63 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.1 t -142.21 111.55 6.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -170.56 154.22 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.01 158.72 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -109.13 -95.77 2.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.533 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 63.6 p -119.21 154.07 33.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.837 0.351 . . . . 0.0 111.098 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 123' ' ' VAL . 6.4 p -120.39 41.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.6 t -48.77 -59.01 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 114.22 122.23 3.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 173.07 11.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 53.6 p -156.48 118.67 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 35.4 t -162.65 149.19 12.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 m -99.2 143.81 29.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -148.45 166.2 28.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.54 161.72 16.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 p -123.49 137.14 54.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.898 0.38 . . . . 0.0 110.82 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 p -85.79 173.63 9.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.5 123.95 1.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.77 101.33 2.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 p -164.71 125.26 2.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.854 0.359 . . . . 0.0 110.87 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -74.57 73.48 1.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 t -102.84 -64.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -98.58 81.38 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.435 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 3.8 mm? -68.15 -27.78 66.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.546 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 4.3 m-85 -107.11 174.88 5.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -128.17 117.97 22.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.1 m -93.39 135.08 34.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -146.39 151.51 37.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.48 129.79 53.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.419 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.1 t -110.07 113.84 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.637 ' HG3' HG13 ' A' ' 97' ' ' VAL . 9.8 tt0 -90.78 92.26 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.675 HD11 ' CD1' ' A' ' 65' ' ' ILE . 66.7 mt -81.21 151.81 27.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -114.8 133.2 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.6 mtm180 -100.76 102.05 13.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 26' ' ' GLY . 32.9 mttm -59.56 170.9 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 25' ' ' ASP . 14.3 p-10 -51.51 86.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 105.36 -35.79 4.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -51.99 129.49 27.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.5 p -96.09 171.21 8.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' HG ' HD12 ' A' ' 31' ' ' ILE . 11.1 tp -53.42 -54.64 34.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.451 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 74.68 50.05 9.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.509 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 77.3 mt -134.86 120.54 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 111.138 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.4 mmt-85 -94.95 128.52 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.444 HD13 ' CG1' ' A' ' 87' ' ' VAL . 6.6 pt -108.35 170.02 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 p -147.95 148.54 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.8 106.6 2.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -96.15 130.71 43.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.94 0.4 . . . . 0.0 110.924 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.4 t -101.38 -31.33 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.69 -135.54 20.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.44 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.0 t -134.38 162.21 32.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 111.167 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 t -39.13 -54.45 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -70.99 168.39 17.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.1 p -88.69 49.88 1.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.16 -64.13 0.55 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.6 176.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.36 130.67 34.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.05 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.6 p -137.43 112.72 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.2 -174.84 31.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.7 mm -85.97 137.95 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.542 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 61.4 m-85 -143.9 149.02 36.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 65.1 t -73.55 99.42 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -61.37 -41.84 97.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -161.96 176.33 10.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.3 t -142.1 111.33 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.6 mp -59.73 137.19 90.01 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.75 162.81 40.62 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.67 2.247 . . . . 0.0 112.356 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 52.23 20.36 6.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.0 p -104.91 165.41 11.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.809 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.41 -49.29 35.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.509 ' HB2' ' CG1' ' A' ' 31' ' ' ILE . . . -58.43 -55.98 28.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -53.16 -61.79 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -45.43 -54.24 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -45.7 -61.12 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.73 19.93 49.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.419 ' HB2' HG11 ' A' ' 19' ' ' VAL . 70.6 m-70 -108.39 -36.17 6.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.748 0.308 . . . . 0.0 110.832 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.675 ' CD1' HD11 ' A' ' 21' ' ' LEU . 21.9 mt -99.15 117.79 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -128.53 169.51 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.1 m -65.51 176.14 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 60.61 32.04 20.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -120.13 161.72 20.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.542 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -120.29 122.26 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.548 HG12 HD11 ' A' ' 100' ' ' LEU . 22.3 mt -90.96 134.99 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.36 -24.47 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.407 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -154.88 140.66 18.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.722 HG11 HD23 ' A' ' 91' ' ' LEU . 89.7 t -122.37 123.02 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t0 59.81 29.34 18.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.16 19.47 62.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.539 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 79' ' ' ILE . 82.2 t -118.32 116.29 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -60.83 94.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.543 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 7.0 pt -89.43 14.31 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -56.43 92.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.54 -22.58 10.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 4.5 m-85 -47.44 130.16 13.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -63.04 152.75 36.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 83' ' ' ALA . 10.6 t-20 -34.5 -66.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.431 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 51.7 p-80 -57.28 -47.99 80.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 23.5 m-20 -47.49 -27.46 1.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.444 ' CG1' HD13 ' A' ' 33' ' ' ILE . 71.0 t -86.52 -32.15 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.29 -50.38 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.36 -38.35 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.12 -48.62 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.722 HD23 HG11 ' A' ' 74' ' ' VAL . 18.1 mt -58.6 -42.05 87.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 71.0 mtp85 -63.43 -38.44 91.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -64.56 -38.61 91.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.33 145.69 31.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.67 -159.13 28.73 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -41.48 -53.85 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.637 HG13 ' HG3' ' A' ' 20' ' ' GLU . 85.1 t -79.35 107.14 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.443 HG21 HD13 ' A' ' 29' ' ' LEU . 71.9 t -114.71 101.65 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.493 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 9.1 m80 -86.16 94.64 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.59 HD12 HD11 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -85.72 119.15 25.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.407 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . 17.3 m -94.78 114.55 26.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.59 HD11 HD12 ' A' ' 100' ' ' LEU . 4.2 mp -119.06 168.24 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.3 p -151.51 111.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -111.08 147.25 35.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.546 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 2.5 ttm-85 -65.64 124.17 21.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.435 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 11.4 mttm -64.21 -46.37 84.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 106' ' ' LYS . 79.5 m -37.31 125.06 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.8 m -105.19 136.19 45.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.3 t -87.04 145.18 26.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 57.8 m -101.91 -49.83 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.4 t -46.99 150.0 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.7 t -42.64 110.46 0.86 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.64 0.734 . . . . 0.0 110.829 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -165.57 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.9 mp -78.79 -41.12 31.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -133.84 73.73 70.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 145.8 58.48 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 118' ' ' SER . 53.7 Cg_endo -69.74 -178.18 2.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.712 2.275 . . . . 0.0 112.317 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 117' ' ' PRO . 74.8 p 34.6 45.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -144.3 130.64 19.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -79.39 153.31 29.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -71.79 -179.13 31.71 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 123' ' ' VAL . 13.9 t -85.25 140.3 30.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 111.14 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 122' ' ' THR . 35.8 m 37.15 45.19 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.158 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.1 t -52.94 -40.72 63.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -68.48 164.02 48.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.449 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 127' ' ' SER . 53.8 Cg_endo -69.77 2.82 3.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.639 2.226 . . . . 0.0 112.371 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 126' ' ' PRO . 39.9 t -34.45 -58.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 24.4 p -82.85 122.61 28.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -126.84 162.76 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.84 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.4 p -140.92 172.8 12.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.84 -72.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -96.66 151.08 19.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.934 0.397 . . . . 0.0 110.832 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -97.34 163.58 12.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.75 167.59 12.49 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.38 -146.58 45.99 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.47 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.3 m -63.29 94.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.41 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -90.2 94.56 9.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 12' ' ' SER . 2.3 m -127.54 146.42 50.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.817 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 14' ' ' PHE . 11.4 m 34.39 51.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.862 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 21.1 mt -37.15 -28.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 12' ' ' SER . 20.3 m-85 -105.96 150.18 25.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -121.16 144.18 48.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.4 m -105.52 150.02 25.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -149.54 153.42 37.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -99.29 131.35 45.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.609 ' HB ' HD11 ' A' ' 65' ' ' ILE . 1.0 OUTLIER -115.6 112.29 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.705 ' HG3' HG13 ' A' ' 97' ' ' VAL . 13.5 tt0 -92.47 89.96 6.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.659 HD11 HD12 ' A' ' 65' ' ' ILE . 39.1 mt -80.54 142.59 34.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 p -106.38 134.88 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -112.49 112.0 23.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -52.77 -178.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.3 85.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.73 38.37 3.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.47 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -119.04 129.47 55.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.918 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.7 m -77.76 154.88 31.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.741 HD21 HD12 ' A' ' 31' ' ' ILE . 17.3 tp -47.51 -66.87 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.465 ' HA3' ' CB ' ' A' ' 57' ' ' SER . . . 93.96 50.57 2.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.741 HD12 HD21 ' A' ' 29' ' ' LEU . 76.5 mt -137.3 105.46 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 111.159 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.593 ' HG2' HD11 ' A' ' 54' ' ' ILE . 2.4 mmp_? -77.42 134.07 38.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.564 HD13 ' CG1' ' A' ' 87' ' ' VAL . 13.9 pt -117.35 166.14 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.5 p -143.33 150.44 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.63 100.33 1.78 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -85.18 160.13 19.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.96 0.41 . . . . 0.0 110.935 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.3 t -129.01 -30.82 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.138 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.68 78.73 0.81 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.3 t -69.97 159.62 33.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.77 0.319 . . . . 0.0 111.178 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.9 t -41.74 -53.24 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' THR . 4.2 t-160 -43.9 149.07 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' HIS . 58.2 p -35.58 126.05 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 44' ' ' GLU . . . 165.81 -56.42 0.25 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 43' ' ' GLY . 4.1 mm-40 33.44 45.52 0.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.846 0.355 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.53 98.97 5.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.2 p -116.09 128.55 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.31 -177.05 30.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.8 mm -89.94 127.26 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.547 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 84.9 m-85 -126.45 158.1 36.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.652 HG23 HD11 ' A' ' 71' ' ' ILE . 75.7 t -78.19 98.38 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.161 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -61.9 -38.06 86.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -162.26 173.25 14.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 66' ' ' GLN . 92.5 t -133.46 89.01 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.765 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.2 mp -44.81 129.28 5.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.617 0.723 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 163.45 38.25 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.12 22.12 41.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.465 ' CB ' ' HA3' ' A' ' 30' ' ' GLY . 8.0 p -112.51 162.36 15.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.829 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.67 -39.98 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.512 ' HA ' HD22 ' A' ' 21' ' ' LEU . . . -64.79 -56.9 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -56.19 -48.96 75.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -48.4 -55.98 9.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -50.59 -63.46 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.55 22.47 21.46 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.401 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 16.0 m170 -110.51 -38.71 5.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.7 0.286 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.659 HD12 HD11 ' A' ' 21' ' ' LEU . 37.7 mt -95.4 121.89 46.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.698 ' HA ' HG21 ' A' ' 53' ' ' VAL . 9.0 mp0 -142.07 178.87 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.1 m -63.48 169.21 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 68.44 30.76 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.77 158.67 34.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.547 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 1.4 ttpp -118.53 113.27 21.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.652 HD11 HG23 ' A' ' 50' ' ' VAL . 5.4 mp -83.19 119.82 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 101' ' ' THR . 3.7 m -100.94 -24.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.544 ' HB3' ' OG1' ' A' ' 101' ' ' THR . . . -153.82 137.25 15.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.026 HG11 HD23 ' A' ' 91' ' ' LEU . 64.0 t -119.21 121.71 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 99' ' ' HIS . 7.5 t70 59.37 31.58 21.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.99 17.64 69.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.4 t -113.19 112.7 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -64.02 96.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' GLY . 8.2 pt -88.93 13.04 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -62.69 77.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 140.31 -3.76 2.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.519 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -77.12 -174.81 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.364 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.632 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -122.0 171.09 9.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.59 ' O ' HG23 ' A' ' 88' ' ' VAL . 22.9 t-20 -47.69 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -56.15 -45.74 79.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.522 ' O ' HG23 ' A' ' 90' ' ' VAL . 2.8 m-20 -57.78 -31.21 66.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 83' ' ' ALA . 55.9 t -81.76 -32.97 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 84' ' ' ASN . 91.3 t -62.07 -46.6 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 4.7 pt-20 -61.52 -31.98 72.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 86' ' ' ASP . 73.0 t -63.84 -41.66 93.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.026 HD23 HG11 ' A' ' 74' ' ' VAL . 11.0 mt -66.41 -45.54 79.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.7 mtt-85 -59.94 -44.04 94.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -59.79 -35.2 74.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.49 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -56.25 145.03 27.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.99 -158.91 33.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -48.15 -62.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.705 HG13 ' HG3' ' A' ' 20' ' ' GLU . 97.6 t -72.66 99.22 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.49 HG22 ' HB1' ' A' ' 94' ' ' ALA . 85.8 t -107.68 103.55 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' ASP . 8.5 m80 -89.76 107.9 19.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.577 HD11 ' CG2' ' A' ' 71' ' ' ILE . 20.4 tp -93.04 156.34 16.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.544 ' OG1' ' HB3' ' A' ' 73' ' ' ALA . 2.9 m -127.95 98.8 5.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -117.72 148.28 42.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.6 p -128.05 108.71 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -108.42 167.58 9.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -71.54 120.34 16.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.45 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 9.2 mttm -51.0 -46.62 61.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.3 m 68.47 46.55 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 t -41.14 145.35 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 91.8 p -91.75 166.75 12.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.6 m 59.01 43.08 18.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 76.1 p -96.08 159.38 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.086 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 91.3 p -112.7 89.56 13.35 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.673 0.749 . . . . 0.0 110.819 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -166.3 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.649 2.233 . . . . 0.0 112.344 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.7 mt -99.46 -48.21 4.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -134.97 74.23 64.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 125.4 12.07 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.651 2.234 . . . . 0.0 112.345 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 153.33 69.07 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.3 m -116.71 141.68 47.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -149.19 171.39 16.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -89.75 138.2 31.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -136.79 132.22 5.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 54.7 p -99.64 38.78 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 111.139 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.8 p -105.0 145.68 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.4 p -52.1 108.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 129.23 150.07 7.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 140.51 42.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.342 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.0 t -79.27 153.54 29.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.1 m -153.56 155.32 35.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.443 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -142.28 124.62 15.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -157.64 128.05 6.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.92 172.02 29.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.0 t -126.74 122.63 35.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -85.13 161.09 19.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.05 -155.74 18.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.74 75.87 0.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.1 m -122.28 165.77 15.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -78.15 87.18 4.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.0 p -121.59 138.57 54.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.5 m 50.24 53.2 13.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.0 mm? -49.48 -40.55 37.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 2.1 m-85 -104.96 173.59 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.403 ' HB3' ' CE ' ' A' ' 106' ' ' LYS . 2.9 pp20? -135.97 123.59 22.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 m -86.21 143.87 27.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -152.16 146.27 25.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.45 132.26 37.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.614 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.2 t -113.02 109.42 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.476 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 16.5 tt0 -84.26 107.62 16.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.852 HD11 ' CD1' ' A' ' 65' ' ' ILE . 41.2 mt -97.87 143.83 28.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.1 p -105.74 135.24 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -106.27 107.69 18.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -50.42 177.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -70.4 81.96 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.13 41.01 2.51 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -124.11 155.27 38.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.879 0.371 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.2 m -106.85 177.69 4.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.1 tp -66.44 -69.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.11 32.9 8.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.443 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.536 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 75.7 mt -117.84 112.43 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.349 . . . . 0.0 111.098 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -80.93 133.25 35.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.0 pt -113.49 165.39 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.176 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -147.64 143.67 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.6 82.38 0.55 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -57.51 159.25 5.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.943 0.401 . . . . 0.0 110.918 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.4 t -131.02 -34.09 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.19 140.79 0.78 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 41' ' ' HIS . 13.8 t -136.88 176.27 8.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.747 0.308 . . . . 0.0 111.162 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 41' ' ' HIS . 43.5 p -36.11 -42.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.5 OUTLIER -34.78 114.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.8 t -40.12 140.16 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.38 42.23 8.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.458 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.62 145.92 26.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.68 115.39 5.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.5 t -118.23 139.12 51.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.27 -175.63 22.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.471 HG22 HD13 ' A' ' 71' ' ' ILE . 35.5 mm -85.85 127.93 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 72.5 m-85 -133.54 157.86 44.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.8 t -79.73 102.92 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -67.81 -39.75 83.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.9 m -161.41 168.54 23.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' A' ' 66' ' ' GLN . 72.7 t -132.18 93.91 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.5 mp -43.01 131.32 3.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 160.05 51.16 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.666 2.244 . . . . 0.0 112.384 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.83 28.19 52.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.3 p -115.21 170.39 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.826 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.82 -47.51 73.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.536 ' HB2' ' CG1' ' A' ' 31' ' ' ILE . . . -58.33 -54.24 49.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -57.62 -45.3 85.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -52.83 -58.52 6.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -46.89 -59.8 2.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.32 27.77 12.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.614 ' HB2' HG11 ' A' ' 19' ' ' VAL . 13.2 m-70 -118.37 -39.49 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.852 ' CD1' HD11 ' A' ' 21' ' ' LEU . 18.5 mt -91.91 115.09 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.554 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -140.93 174.97 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.408 HG23 ' ND2' ' A' ' 68' ' ' ASN . 31.9 m -59.21 165.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.408 ' ND2' HG23 ' A' ' 67' ' ' VAL . 1.6 m-20 67.52 30.85 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -121.74 155.03 36.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 7.9 ttpt -118.39 122.25 42.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.529 ' CG2' HD11 ' A' ' 79' ' ' ILE . 4.9 mp -87.63 132.09 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.599 ' CG2' HG22 ' A' ' 101' ' ' THR . 4.0 m -111.67 -25.71 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -163.8 138.62 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.545 HG11 HD23 ' A' ' 91' ' ' LEU . 83.8 t -111.34 121.7 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.471 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 1.3 p30 53.59 25.23 4.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.56 -20.48 41.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.38 119.13 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.342 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -71.97 94.94 1.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.529 HD11 ' CG2' ' A' ' 71' ' ' ILE . 6.5 pt -88.43 13.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -55.13 91.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.42 -24.59 11.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.5 m-85 -41.85 141.98 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -73.95 156.2 37.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.481 ' O ' HG23 ' A' ' 88' ' ' VAL . 12.0 t-20 -36.49 -58.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -65.21 -44.15 89.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.689 ' O ' HG23 ' A' ' 90' ' ' VAL . 8.0 t0 -51.54 -28.37 13.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.2 t -86.57 -38.79 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 84' ' ' ASN . 90.5 t -57.24 -45.56 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -62.78 -38.71 91.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 86' ' ' ASP . 98.7 t -59.59 -42.4 88.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.545 HD23 HG11 ' A' ' 74' ' ' VAL . 35.4 mt -62.36 -46.46 88.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -57.9 -40.96 81.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -62.08 -40.83 97.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.677 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -52.32 148.99 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 98' ' ' VAL . . . -109.75 -152.63 14.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -47.5 -62.01 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.361 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.1 t -75.25 104.2 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.677 HG22 ' HB1' ' A' ' 94' ' ' ALA . 85.8 t -120.57 105.72 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.476 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 18.6 m80 -92.73 97.49 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -82.8 110.42 17.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.599 HG22 ' CG2' ' A' ' 72' ' ' VAL . 18.3 m -81.55 103.56 11.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.79 HD11 HG12 ' A' ' 65' ' ' ILE . 0.6 OUTLIER -120.48 158.0 28.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.48 HG22 ' HB3' ' A' ' 14' ' ' PHE . 3.1 p -136.11 113.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 104' ' ' ARG . 1.7 ptm85 -105.87 154.83 20.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.581 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 2.3 ttm180 -70.37 118.77 13.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.403 ' CE ' ' HB3' ' A' ' 15' ' ' GLU . 19.5 mttt -55.57 162.38 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.8 m -63.88 139.49 58.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.0 m -143.75 170.37 16.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.1 t -61.65 134.12 56.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.8 m -114.04 178.15 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.1 t -108.32 41.82 1.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.435 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 3.6 m 42.46 54.87 9.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.696 0.76 . . . . 0.0 110.887 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 112' ' ' SER . 53.6 Cg_endo -69.76 -166.55 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.4 mt -80.34 -36.61 33.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -133.7 72.46 73.56 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 158.28 57.5 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.45 30.99 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.289 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.8 p -131.28 124.87 31.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -114.69 120.63 40.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -130.93 112.8 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 150.76 -174.29 30.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.1 t -170.39 159.17 6.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 111.157 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 32.7 m -115.97 171.74 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.5 t -115.72 -50.57 2.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 86.54 137.33 4.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.439 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -173.73 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 72.7 p -161.83 170.4 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.803 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 69.3 m -131.1 -63.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.516 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -113.68 159.44 19.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.349 . . . . 0.0 110.922 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 p -41.11 162.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.16 109.85 2.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -171.6 173.23 4.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.369 . . . . 0.0 110.841 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -64.19 117.37 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.67 140.62 2.97 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.74 121.99 1.04 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -69.86 80.01 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -105.31 73.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.3 t -97.33 -65.83 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -83.15 101.51 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.433 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 8.1 mp -89.57 -26.51 20.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.571 ' HB3' HG22 ' A' ' 103' ' ' VAL . 11.9 m-85 -105.83 159.27 16.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -122.05 129.21 52.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.6 m -95.57 141.51 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -150.56 150.07 30.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.88 135.71 46.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.584 HG11 ' HB2' ' A' ' 64' ' ' HIS . 1.8 t -118.3 113.86 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.89 ' HG3' HG13 ' A' ' 97' ' ' VAL . 16.0 tt0 -84.63 91.51 7.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.994 HD11 HD12 ' A' ' 65' ' ' ILE . 84.4 mt -79.33 139.83 37.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 p -105.26 142.57 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.183 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -107.42 106.22 16.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -49.0 178.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -64.98 90.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.92 45.95 5.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.532 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.444 ' HG2' ' N ' ' A' ' 28' ' ' SER . 39.4 tt0 -123.46 151.7 42.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 110.917 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.444 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 74.5 m -99.49 158.15 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 29' ' ' LEU . 11.4 tp -50.66 -68.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.945 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.567 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 91.74 49.18 3.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.474 HD11 ' CD1' ' A' ' 21' ' ' LEU . 67.1 mt -135.25 114.61 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -90.34 135.57 33.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.1 pt -112.03 163.73 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 p -147.55 140.97 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.594 ' N ' HD21 ' A' ' 84' ' ' ASN . . . -91.66 103.06 3.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -79.88 154.99 27.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.934 0.397 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 63.6 t -125.23 -22.66 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.93 150.2 0.14 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 40' ' ' SER . 11.1 t -167.93 161.71 13.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 111.096 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' THR . 56.2 m -34.56 -42.63 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -38.12 -67.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.2 p -101.21 40.07 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.95 -76.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -171.73 127.11 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -165.03 107.87 0.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.4 p -128.6 144.93 51.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.94 -169.5 24.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.432 HG22 HD13 ' A' ' 71' ' ' ILE . 15.2 mm -96.24 126.92 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 111.153 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CE1' ' HG2' ' A' ' 70' ' ' LYS . 9.8 m-85 -128.25 156.03 43.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.0 t -74.57 111.37 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -74.07 -40.74 62.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 m -164.41 170.12 16.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.13 104.55 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.719 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.6 mp -52.31 129.88 42.31 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.64 0.733 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 155.51 65.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 59.56 29.87 67.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 p -115.88 179.46 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.51 64.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.81 -44.14 81.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -65.25 -50.41 65.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -50.79 -50.53 55.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -51.69 -61.65 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.55 26.46 17.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.584 ' HB2' HG11 ' A' ' 19' ' ' VAL . 12.5 m170 -114.85 -34.69 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.994 HD12 HD11 ' A' ' 21' ' ' LEU . 45.9 mt -98.22 122.2 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.543 ' NE2' ' C ' ' A' ' 64' ' ' HIS . 7.1 mp0 -138.22 173.81 11.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.16 172.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 62.2 41.35 10.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -130.55 163.79 26.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -124.46 123.45 40.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.475 ' CG2' HD11 ' A' ' 79' ' ' ILE . 5.1 mp -87.8 132.76 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 m -116.2 -24.32 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.49 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -154.85 145.49 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.8 t -129.88 119.19 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' OD2' HG13 ' A' ' 98' ' ' VAL . 1.9 m-20 60.34 30.44 19.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.06 20.12 59.81 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.437 ' O ' HG23 ' A' ' 79' ' ' ILE . 84.2 t -119.27 112.76 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -62.16 90.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.475 HD11 ' CG2' ' A' ' 71' ' ' ILE . 7.5 pt -84.36 13.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -55.43 96.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.32 -21.99 14.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.7 m-85 -48.72 132.25 17.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.864 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -62.72 150.09 42.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.104 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.594 HD21 ' N ' ' A' ' 35' ' ' GLY . 6.0 m120 -38.05 -55.11 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -66.19 -40.27 90.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -56.49 -33.76 66.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.5 t -77.49 -37.2 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.5 t -53.5 -50.49 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 90' ' ' VAL . 5.9 pt-20 -55.08 -43.85 74.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.428 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 89.8 t -57.64 -34.35 47.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.2 mt -71.99 -44.27 63.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.454 ' HG2' ' N ' ' A' ' 93' ' ' ASN . 11.4 ptt180 -66.89 -43.64 82.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.454 ' N ' ' HG2' ' A' ' 92' ' ' ARG . 24.8 m-80 -66.7 -21.11 66.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.47 148.52 48.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.11 -160.75 29.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -50.89 -63.07 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.89 HG13 ' HG3' ' A' ' 20' ' ' GLU . 98.4 t -70.92 97.49 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.413 HG13 ' OD2' ' A' ' 75' ' ' ASP . 94.2 t -107.81 105.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 17.5 m80 -87.63 94.71 9.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.694 HD12 HD11 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -83.6 118.21 23.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.49 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . 5.2 m -94.24 118.34 31.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.694 HD11 HD12 ' A' ' 100' ' ' LEU . 1.4 mp -127.05 153.42 45.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 14' ' ' PHE . 2.7 p -129.97 106.69 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.099 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -100.02 155.83 17.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -74.4 127.53 33.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.433 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 29.5 mttt -64.96 -51.86 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.3 m -43.15 131.32 4.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 97.5 p -47.07 148.07 1.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 20.3 t -73.82 124.75 26.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 57.8 p -66.8 92.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.8 m -159.02 133.31 7.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.161 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.1 m -108.3 77.63 0.74 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -166.48 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.644 2.23 . . . . 0.0 112.321 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.558 HD12 ' HB2' ' A' ' 115' ' ' GLU . 4.0 pp -80.01 -37.42 34.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.558 ' HB2' HD12 ' A' ' 114' ' ' LEU . 34.9 tt0 -127.73 69.79 76.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.69 67.35 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.346 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -172.57 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.6 t -84.03 109.69 17.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.812 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.14 143.27 57.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -79.27 172.44 13.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -90.07 -121.54 2.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 75.8 p -106.55 170.67 7.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 111.148 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 11.9 p -110.42 138.07 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.6 m -146.99 153.46 40.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -156.11 -148.79 5.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 164.77 33.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.304 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 36.3 p -78.39 135.86 37.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.792 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 85.3 p -175.03 142.95 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 3' ' ' SER . 35.2 p -50.5 -45.95 56.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.826 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 2' ' ' SER . 4.4 t -36.61 -46.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.07 169.34 15.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 t -166.48 145.94 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.361 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 p -162.87 141.98 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . -100.76 47.42 1.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . 37.17 72.2 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m -169.76 170.4 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -115.89 76.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.3 t -104.43 -64.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.3 m -82.52 103.66 12.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.443 ' N ' HD12 ' A' ' 13' ' ' LEU . 7.7 mp -89.56 -31.6 17.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.66 ' HB3' HG22 ' A' ' 103' ' ' VAL . 15.6 m-85 -98.85 165.49 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -136.21 130.36 33.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.4 m -95.58 149.0 21.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -150.24 145.12 26.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -97.01 132.73 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.5 t -119.91 117.27 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.712 ' HG3' HG13 ' A' ' 97' ' ' VAL . 12.2 tt0 -98.31 93.36 6.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.75 HD11 ' CD1' ' A' ' 65' ' ' ILE . 21.7 mt -79.64 162.75 25.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 p -121.65 142.91 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -115.28 102.43 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 26' ' ' GLY . 23.6 mmmt -56.53 171.03 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -58.98 84.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 115.28 -40.39 2.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -45.33 160.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.1 m -125.61 177.45 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.55 ' CD2' HD22 ' A' ' 91' ' ' LEU . 10.0 tp -62.54 -69.34 0.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.79 53.46 3.99 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.491 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 79.3 mt -134.0 94.02 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 111.152 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.736 ' HG2' HD11 ' A' ' 54' ' ' ILE . 11.3 mmm180 -65.82 128.11 34.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.1 pt -106.38 157.3 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 49' ' ' TYR . 8.1 p -128.34 146.55 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.69 122.97 7.76 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -127.63 142.6 51.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.951 0.405 . . . . 0.0 110.913 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.7 m -123.79 -29.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 39' ' ' THR . . . 72.61 38.29 57.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' GLY . 7.0 t -34.54 -41.79 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 41' ' ' HIS . 31.9 p -117.07 -173.05 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -31.86 -78.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.4 p 42.99 37.11 1.02 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.21 44.45 26.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.447 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 42.17 31.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.72 96.45 10.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.2 t -139.42 135.14 33.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.43 -162.79 28.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.0 mm -96.92 118.92 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 41.8 m-85 -122.13 162.13 21.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.7 t -79.81 114.13 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -43.25 48.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.1 177.3 11.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' A' ' 66' ' ' GLN . 88.6 t -134.15 92.83 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.134 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.8 ' H ' HD12 ' A' ' 54' ' ' ILE . 3.9 mp -48.1 134.76 11.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.549 0.69 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.506 ' HD2' HG23 ' A' ' 54' ' ' ILE . 54.5 Cg_endo -69.68 159.58 52.93 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.715 2.277 . . . . 0.0 112.341 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.23 30.44 64.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.2 p -117.86 170.26 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.85 -45.54 86.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.491 ' HB2' ' CG1' ' A' ' 31' ' ' ILE . . . -59.44 -49.83 76.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -57.89 -38.06 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -71.59 -49.59 38.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.448 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.0 t-20 -51.5 -59.96 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.03 28.05 26.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -121.98 -27.82 4.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.75 ' CD1' HD11 ' A' ' 21' ' ' LEU . 11.5 mt -111.33 120.49 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.462 ' HA ' ' CG2' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -157.02 170.33 22.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.3 m -40.13 161.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 65.18 39.71 5.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -140.77 130.26 23.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 4.3 ttpp -96.44 131.06 43.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.761 HG23 HD11 ' A' ' 100' ' ' LEU . 5.2 mp -104.65 124.04 59.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.0 m -100.17 -26.25 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HB3' ' HB ' ' A' ' 101' ' ' THR . . . -150.66 148.24 28.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.692 HG11 HD23 ' A' ' 91' ' ' LEU . 61.1 t -131.3 119.88 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.8 t70 59.45 36.71 23.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.91 23.04 70.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.3 t -120.21 119.72 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.091 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -67.39 97.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.419 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 6.5 pt -97.96 18.73 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -44.47 -71.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -91.95 42.18 2.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CG ' ' HA ' ' A' ' 79' ' ' ILE . 3.1 m-85 -99.19 145.49 27.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -83.7 151.06 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.063 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' ALA . 5.4 t-20 -34.37 -63.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -54.86 -46.82 74.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.597 ' O ' HG23 ' A' ' 90' ' ' VAL . 65.8 m-20 -53.63 -34.17 57.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.2 t -77.75 -35.31 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.6 t -57.79 -54.26 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 14.4 pt-20 -55.34 -41.03 71.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 86' ' ' ASP . 72.5 t -53.69 -41.8 48.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.692 HD23 HG11 ' A' ' 74' ' ' VAL . 17.9 mt -65.63 -46.17 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -58.42 -43.27 88.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -61.43 -40.37 94.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.09 154.61 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.07 -153.51 12.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -50.17 -61.0 2.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.37 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.712 HG13 ' HG3' ' A' ' 20' ' ' GLU . 94.1 t -75.31 102.41 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.2 t -110.51 107.33 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 8.3 m80 -92.74 104.12 16.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.761 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -93.96 136.7 33.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.577 ' N ' HD13 ' A' ' 100' ' ' LEU . 10.7 m -111.22 104.2 12.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.688 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -118.61 161.53 19.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.66 HG22 ' HB3' ' A' ' 14' ' ' PHE . 3.7 p -138.71 116.46 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -104.82 152.04 23.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -74.51 123.11 24.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 107' ' ' THR . 24.1 mttt -61.85 175.42 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.462 HG22 ' O ' ' A' ' 107' ' ' THR . 7.7 m 34.2 40.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 109' ' ' SER . 12.2 t -108.16 172.6 6.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 108' ' ' SER . 40.9 t -34.59 100.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.815 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 78.9 p -145.33 178.46 8.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.9 p -56.29 165.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.435 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 75.4 p 44.72 54.44 12.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.73 . . . . 0.0 110.83 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 112' ' ' SER . 53.8 Cg_endo -69.74 -170.31 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.493 HD12 ' HG2' ' A' ' 115' ' ' GLU . 4.1 pp -79.14 -28.76 42.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.493 ' HG2' HD12 ' A' ' 114' ' ' LEU . 14.3 mm-40 -134.46 69.29 73.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.626 0.726 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 157.12 61.51 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.34 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 161.38 46.14 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.738 2.292 . . . . 0.0 112.327 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.5 t -70.56 110.59 5.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -118.39 -34.48 4.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -90.59 -57.52 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.12 -41.36 2.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.1 t -83.06 41.1 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 111.142 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 124' ' ' SER . 92.6 t -148.48 123.15 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 123' ' ' VAL . 89.9 p -34.64 142.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -165.49 -93.86 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -179.39 2.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.3 t -160.37 176.04 12.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.8 t -48.51 105.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.4 p -171.89 130.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -120.61 175.13 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.78 162.22 30.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -155.19 159.56 40.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -157.0 158.08 35.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.27 121.36 1.14 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.21 89.57 0.1 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.454 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.6 t -66.82 -54.17 25.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -69.68 -41.33 75.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 10' ' ' ASP . 14.3 m -35.03 152.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' PHE . 39.4 m 55.44 54.91 7.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.465 ' CD1' ' H ' ' A' ' 13' ' ' LEU . 5.2 mp -40.03 -29.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 33.7 m-85 -101.21 147.47 26.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -122.7 147.01 46.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.4 m -109.22 144.69 36.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -144.18 146.89 33.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -98.43 127.78 44.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.17 113.66 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.757 ' HG2' HG13 ' A' ' 97' ' ' VAL . 2.0 tm-20 -92.46 101.57 14.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.81 HD11 HD12 ' A' ' 65' ' ' ILE . 75.5 mt -89.98 139.71 30.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.9 p -98.94 137.0 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -119.36 105.29 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -56.83 179.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.03 101.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.877 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' GLN . . . 96.51 -43.71 2.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLY . 42.3 tt0 -36.63 143.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.946 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.6 m -107.36 157.68 17.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.542 ' CD2' HD22 ' A' ' 91' ' ' LEU . 14.6 tp -42.49 -65.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.86 55.45 2.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.5 mt -141.46 119.75 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.427 ' HG2' HD11 ' A' ' 54' ' ' ILE . 16.2 mmm-85 -90.25 132.34 35.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 pt -112.18 170.03 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -155.07 140.3 10.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.11 84.33 1.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.532 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -60.63 131.56 51.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.984 0.421 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.6 t -102.1 -34.64 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.14 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.89 63.66 2.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.455 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 39' ' ' THR . 12.2 t -96.45 46.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 111.108 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.3 t -133.71 155.86 48.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' THR . 0.3 OUTLIER -76.53 159.48 30.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' HIS . 5.1 t 34.08 41.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -171.72 66.64 0.14 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -84.11 87.63 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.05 96.24 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 t -116.31 132.79 56.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.03 -170.85 29.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.42 133.74 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.119 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.512 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 54.7 m-85 -139.66 147.86 41.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.5 t -68.4 104.58 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -67.99 -44.91 75.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -158.28 169.76 23.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.3 t -125.9 106.19 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.537 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.0 mp -53.41 129.31 52.18 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 0.0 111.175 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 154.8 67.17 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.77 22.8 54.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.445 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 p -110.48 168.57 9.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.815 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.19 -50.11 30.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.64 -58.06 9.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -47.27 -59.27 3.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -44.77 -59.82 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -50.96 -41.46 59.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.93 35.75 91.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.45 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -115.09 -36.96 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.81 HD12 HD11 ' A' ' 21' ' ' LEU . 20.3 mt -97.06 102.97 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -104.82 -174.49 2.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.7 m -82.22 171.39 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 66.94 36.04 4.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -121.06 166.14 14.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.512 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.9 ttpt -121.22 122.23 39.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.433 HG12 HD11 ' A' ' 100' ' ' LEU . 16.6 mt -97.05 124.56 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.7 m -103.33 -22.2 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.15 145.41 19.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.651 HG11 HD23 ' A' ' 91' ' ' LEU . 60.9 t -127.74 121.91 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 55.6 38.41 30.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.25 24.14 71.95 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 79' ' ' ILE . 86.6 t -118.0 108.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 111.131 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -60.86 95.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.475 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.9 pt -95.89 18.09 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -62.07 75.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 123.29 19.72 2.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.461 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 2.9 m-85 -83.02 158.35 22.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.379 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' ASP . . . -81.41 142.0 33.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' ALA . 22.6 t-20 -34.46 -57.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -65.16 -36.23 83.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.584 ' O ' HG23 ' A' ' 90' ' ' VAL . 6.4 m-20 -60.6 -30.02 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.5 t -79.97 -31.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.9 t -61.83 -52.1 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -58.04 -40.8 81.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 86' ' ' ASP . 72.7 t -53.63 -42.67 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.651 HD23 HG11 ' A' ' 74' ' ' VAL . 10.9 mt -65.01 -46.31 81.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -59.54 -43.65 93.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -59.96 -38.48 82.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.43 145.91 13.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.95 -157.28 33.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -50.92 -60.27 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.832 0.348 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.757 HG13 ' HG2' ' A' ' 20' ' ' GLU . 96.4 t -74.74 100.02 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.475 HG21 HD13 ' A' ' 29' ' ' LEU . 89.2 t -106.15 101.99 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.452 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 5.7 m80 -85.09 101.29 12.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.638 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -88.84 128.3 35.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.429 ' N ' HD13 ' A' ' 100' ' ' LEU . 5.8 m -101.71 107.63 18.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.638 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.9 OUTLIER -120.53 156.58 31.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.434 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.0 OUTLIER -134.4 111.94 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -109.89 158.47 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.562 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 1.6 ttt180 -69.98 123.2 20.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -66.38 168.05 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 108' ' ' SER . 8.6 m -105.79 151.35 24.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 107' ' ' THR . 37.6 t -36.04 -37.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.4 t -52.12 167.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.2 t -56.87 -177.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.5 p -64.62 143.32 58.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.484 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 1.0 OUTLIER -66.34 -60.46 6.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.723 0.773 . . . . 0.0 110.908 -179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 112' ' ' SER . 53.8 Cg_endo -69.8 -165.54 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.67 2.247 . . . . 0.0 112.363 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.559 HD12 ' OE1' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -113.74 -37.11 4.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.559 ' OE1' HD12 ' A' ' 114' ' ' LEU . 2.8 mp0 -134.37 62.75 57.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.617 0.722 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 138.24 37.37 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 175.25 8.4 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.642 2.228 . . . . 0.0 112.346 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.6 p -132.4 149.24 52.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -149.73 141.42 23.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 ptt-85 -80.67 170.5 16.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -154.72 -157.01 7.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.4 p -127.14 171.08 11.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.764 0.316 . . . . 0.0 111.18 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 124' ' ' SER . 14.6 p -104.71 154.78 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.422 ' N ' HG22 ' A' ' 123' ' ' VAL . 61.2 m -51.43 -59.9 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.802 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.05 84.33 0.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 123.29 9.97 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 28.2 t -169.15 114.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.1 t -95.59 146.51 24.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -161.36 164.15 30.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -129.5 124.37 33.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.24 91.3 1.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -87.23 -41.28 13.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.848 0.356 . . . . 0.0 110.817 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -101.1 128.81 47.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.39 -99.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.522 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.12 139.61 5.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.0 p -129.78 152.24 49.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 110.888 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.22 91.2 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.4 p -126.5 -55.01 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.2 m -103.22 66.16 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.4 mm? -61.52 -32.63 72.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.586 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 6.8 m-85 -112.75 162.31 15.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -125.96 128.65 47.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.6 m -97.14 142.85 28.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.185 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -140.97 145.08 35.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.956 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -95.57 131.3 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.8 t -119.39 115.82 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.629 ' HG3' HG13 ' A' ' 97' ' ' VAL . 7.1 tt0 -93.52 104.27 16.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.535 HD11 HD12 ' A' ' 65' ' ' ILE . 69.8 mt -89.82 152.15 21.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.02 134.4 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -105.44 102.65 12.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -53.03 177.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.1 75.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.26 -43.74 1.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.416 ' OE1' ' HB2' ' A' ' 58' ' ' ALA . 25.6 tt0 -51.13 142.69 12.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.799 0.333 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.1 m -108.09 170.81 7.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -50.4 -67.63 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.416 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 80.62 54.72 3.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 59' ' ' ALA . 38.5 mt -133.84 115.0 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 111.106 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.72 ' NH1' HD11 ' A' ' 54' ' ' ILE . 15.1 mmp_? -83.95 143.57 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.7 pt -126.35 169.97 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -152.77 147.45 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.508 ' N ' HD21 ' A' ' 84' ' ' ASN . . . -97.58 104.29 2.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -85.17 144.22 28.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.901 0.381 . . . . 0.0 110.922 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -116.59 -36.54 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.14 156.8 19.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 39' ' ' THR . 10.0 t -112.64 47.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.337 . . . . 0.0 111.143 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.4 m -169.03 169.83 9.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.525 ' CE1' ' HG1' ' A' ' 42' ' ' THR . 1.7 p80 -93.24 -34.27 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.525 ' HG1' ' CE1' ' A' ' 41' ' ' HIS . 16.5 p -129.31 164.03 24.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 44.68 66.93 1.26 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 38.7 tp10 -156.46 155.75 32.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.449 ' N ' ' HG3' ' A' ' 44' ' ' GLU . . . -82.44 120.62 25.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 p -146.43 122.36 10.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.786 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.14 -131.87 3.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.4 mm -123.35 123.71 68.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.55 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 69.3 m-85 -126.55 147.59 49.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 66.7 t -67.01 109.58 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -73.87 -38.66 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 m -164.59 167.36 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.691 HG21 ' HA ' ' A' ' 66' ' ' GLN . 96.9 t -133.78 112.26 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.161 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.72 HD11 ' NH1' ' A' ' 32' ' ' ARG . 5.3 mp -58.72 127.06 82.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.706 . . . . 0.0 111.182 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 152.95 69.62 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.58 24.42 75.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.3 p -114.85 -176.06 2.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.416 ' HB2' ' OE1' ' A' ' 27' ' ' GLN . . . -66.3 -50.76 62.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.639 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -60.6 -51.54 68.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -57.92 -44.93 87.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -60.19 -46.71 88.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -54.92 -57.15 12.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.59 31.27 22.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -122.1 -29.78 4.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.601 HG23 HD21 ' A' ' 102' ' ' LEU . 11.6 mt -114.72 109.08 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.691 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -145.09 -178.32 5.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.2 m -48.71 162.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.5 m120 64.68 38.16 7.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -132.93 146.95 52.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.55 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 2.9 ttpt -115.09 119.72 37.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.54 HG12 HD11 ' A' ' 100' ' ' LEU . 5.3 mp -92.53 126.16 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.165 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 m -103.42 -26.9 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -155.94 139.89 16.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.479 HG11 HD23 ' A' ' 91' ' ' LEU . 95.2 t -110.87 116.55 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.464 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 1.5 p30 52.8 27.41 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.69 -22.48 32.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 79' ' ' ILE . 84.5 t -73.58 108.43 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -66.12 87.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 77' ' ' VAL . 4.7 pt -85.33 26.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -74.8 51.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 153.55 31.71 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -104.53 160.84 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -82.47 143.98 30.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.508 HD21 ' N ' ' A' ' 35' ' ' GLY . 5.1 m120 -33.73 -61.63 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -61.85 -39.91 93.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.554 ' O ' HG23 ' A' ' 90' ' ' VAL . 70.5 m-20 -57.25 -31.68 65.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.4 t -78.77 -31.09 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.7 t -60.42 -49.95 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 6.9 pt-20 -59.38 -34.31 72.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 86' ' ' ASP . 92.0 t -59.48 -43.51 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.479 HD23 HG11 ' A' ' 74' ' ' VAL . 16.2 mt -64.28 -47.03 81.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 46.5 mtp85 -61.0 -40.93 95.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -62.01 -37.45 84.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.78 148.03 13.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.05 -155.05 30.78 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -54.09 -60.99 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.629 HG13 ' HG3' ' A' ' 20' ' ' GLU . 70.0 t -71.9 99.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.48 105.8 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.5 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 14.3 m80 -91.75 96.41 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.734 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -79.64 131.94 36.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.512 ' N ' HD13 ' A' ' 100' ' ' LEU . 2.6 m -105.79 102.98 12.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.734 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -118.43 161.44 19.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.1 p -137.62 121.22 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -109.58 155.58 21.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.586 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 3.4 ttm180 -75.46 127.18 32.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 107' ' ' THR . 3.5 mtpm? -80.38 -60.83 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' LYS . 23.6 p -33.47 147.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.6 t -65.83 -177.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.2 t -79.07 45.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 t 72.13 26.02 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 61.1 p -103.97 -5.62 22.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.8 m -82.46 153.77 68.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.629 0.728 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -163.81 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.676 2.25 . . . . 0.0 112.338 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.689 HD23 ' H ' ' A' ' 114' ' ' LEU . 1.5 pt? -77.89 -33.67 51.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.411 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 15.9 mt-10 -134.84 74.37 64.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.612 0.72 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 115.85 4.29 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.297 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 85.0 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.359 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 72.8 m -114.43 -63.7 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -104.08 156.91 17.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -100.55 87.86 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -146.97 158.02 27.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 122' ' ' THR . 8.1 t -142.93 118.94 10.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 111.151 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.3 t -136.84 131.9 47.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 63.2 p -77.5 140.96 39.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 162.65 131.78 1.26 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -176.05 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 79.7 p -94.46 173.69 7.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 88.7 p -170.43 166.95 8.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.447 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 p -111.02 150.02 29.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.888 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 m -155.83 165.35 36.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.59 137.34 10.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -141.17 170.74 15.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.353 . . . . 0.0 110.87 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 m -138.14 139.5 39.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.85 -168.15 11.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.7 -84.67 0.33 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.49 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.3 p -42.01 137.66 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.865 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.584 ' CA ' HD21 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -83.86 42.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 t -68.8 -70.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 p -100.24 94.33 6.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.584 HD21 ' CA ' ' A' ' 10' ' ' ASP . 14.5 mt -92.23 -25.89 18.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.495 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 22.7 m-85 -108.25 152.21 24.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -125.62 138.7 53.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.4 m -100.53 146.23 27.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -150.14 153.68 36.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -103.38 131.66 50.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.8 t -116.38 113.39 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 22.8 tt0 -86.08 112.01 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.565 HD21 HD12 ' A' ' 65' ' ' ILE . 85.4 mt -94.99 149.76 20.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 22' ' ' VAL . 4.2 p -110.38 122.97 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -92.46 92.47 8.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -54.1 163.11 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -41.53 97.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.0 44.36 61.6 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.425 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -103.33 135.16 45.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.3 m -96.85 138.06 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.463 ' CD2' HD22 ' A' ' 91' ' ' LEU . 11.9 tp -39.29 -68.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.464 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 82.09 50.79 4.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.503 HD11 ' HB2' ' A' ' 59' ' ' ALA . 73.4 mt -129.02 108.16 16.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.855 0.359 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -81.02 124.82 29.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.8 pt -106.84 170.06 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -148.79 147.09 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.41 96.94 1.4 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -74.62 149.57 39.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.931 0.396 . . . . 0.0 110.898 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.3 t -130.03 -29.88 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.3 77.88 0.53 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -101.8 -38.27 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.752 0.311 . . . . 0.0 111.113 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.4 t -120.01 -43.0 2.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -53.17 152.45 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.6 p -111.83 135.15 52.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 44' ' ' GLU . . . 123.88 40.9 0.43 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.455 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 43' ' ' GLY . 10.7 mm-40 33.55 46.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.12 102.88 5.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.7 p -156.23 130.91 8.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 145.76 -173.24 26.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.3 mm -92.94 122.59 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.541 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 3.1 m-85 -131.03 156.25 45.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.73 112.78 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -78.08 -38.29 44.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 m -163.59 169.29 18.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.588 HG21 ' HA ' ' A' ' 66' ' ' GLN . 48.1 t -136.52 119.86 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.69 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.6 mp -69.65 129.34 91.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.739 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 139.99 41.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.82 17.93 64.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 p -109.36 174.23 5.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.68 84.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.503 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -60.84 -44.57 96.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -65.87 -46.82 76.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -53.98 -44.37 70.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.405 HD22 HD23 ' A' ' 21' ' ' LEU . 19.2 t-20 -56.52 -75.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.78 16.64 11.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -114.8 -25.72 8.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.565 HD12 HD21 ' A' ' 21' ' ' LEU . 13.9 mt -110.53 110.93 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.588 ' HA ' HG21 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -151.88 -178.74 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.3 m -51.45 162.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 66.76 35.96 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.53 136.85 39.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.541 ' CG ' ' CZ ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -102.99 131.0 50.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.474 HG22 HD11 ' A' ' 79' ' ' ILE . 5.1 mp -100.24 133.86 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.7 m -111.02 -31.64 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.37 139.63 18.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.463 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 87.5 t -110.67 120.67 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.463 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 1.5 p30 52.8 27.82 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.18 -21.07 42.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.5 t -74.76 119.87 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 111.128 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -72.9 95.84 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.518 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.6 pt -89.76 15.94 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -59.29 90.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.94 -19.7 15.27 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.9 m-85 -48.57 141.4 7.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.94 156.87 38.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.422 ' O ' HG23 ' A' ' 88' ' ' VAL . 12.8 t-20 -42.75 -49.9 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -70.98 -44.74 65.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.563 ' O ' HG23 ' A' ' 90' ' ' VAL . 96.0 m-20 -52.31 -25.2 8.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 83.9 t -85.94 -35.54 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 84' ' ' ASN . 79.0 t -58.89 -50.4 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -57.22 -42.45 81.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 86' ' ' ASP . 80.5 t -52.98 -48.69 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' A' ' 29' ' ' LEU . 18.6 mt -58.04 -44.01 87.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.5 mtt-85 -62.07 -37.83 86.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -64.73 -39.08 93.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.632 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -53.21 158.84 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.47 -147.26 9.79 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -57.49 -56.35 22.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.434 HG13 ' HG3' ' A' ' 20' ' ' GLU . 87.8 t -81.18 104.71 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.632 HG22 ' HB1' ' A' ' 94' ' ' ALA . 94.5 t -119.82 109.15 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.468 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 20.9 m80 -94.5 99.45 11.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.82 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -81.57 126.87 32.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.471 ' N ' HD13 ' A' ' 100' ' ' LEU . 6.7 m -101.67 105.65 16.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.82 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -119.52 164.38 15.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.495 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.5 p -138.4 114.22 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -110.8 159.58 17.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -74.34 117.67 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.443 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 24.1 mttt -52.95 174.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' SER . 28.0 m -49.21 -51.39 33.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 107' ' ' THR . 56.0 p 37.47 46.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.1 p -56.42 166.5 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 111' ' ' THR . 89.9 p -77.28 165.26 24.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 110' ' ' SER . 11.4 t 34.61 41.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 45.9 m -46.33 142.71 4.17 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.701 0.762 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -163.61 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.362 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.738 ' H ' HD13 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -100.31 -15.3 18.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.523 ' N ' HD22 ' A' ' 114' ' ' LEU . 6.6 mm-40 -134.54 52.49 7.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.647 0.737 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 115' ' ' GLU . 54.0 Cg_endo -69.72 156.96 62.09 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.376 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 4.33 2.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.6 t -43.09 127.0 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -86.69 173.41 9.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -101.35 164.64 11.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -177.22 -170.97 40.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 59.3 p -74.72 174.07 9.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 111.124 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.405 HG22 ' N ' ' A' ' 124' ' ' SER . 14.9 p -97.77 154.47 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.405 ' N ' HG22 ' A' ' 123' ' ' VAL . 55.9 p -155.95 128.75 7.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.402 ' HA2' ' HD2' ' A' ' 126' ' ' PRO . . . -96.31 113.32 4.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.402 ' HD2' ' HA2' ' A' ' 125' ' ' GLY . 53.2 Cg_endo -69.79 -42.62 3.22 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.239 . . . . 0.0 112.358 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.4 t 49.69 39.97 18.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.2 p -66.61 134.95 53.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -157.3 140.29 15.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 t -125.5 142.16 51.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.9 120.33 0.94 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -105.05 84.05 2.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -40.67 148.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.8 165.63 38.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.9 -179.05 35.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.8 p -53.05 158.73 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.839 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.441 ' HB3' HD11 ' A' ' 13' ' ' LEU . 29.6 m-20 -67.65 82.24 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.2 t -103.39 -60.31 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 m -96.81 70.6 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.7 mm? -65.67 -34.0 77.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.437 ' CB ' ' CG2' ' A' ' 103' ' ' VAL . 14.4 m-85 -108.17 158.38 17.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -118.26 126.15 51.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.9 m -95.4 145.12 25.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -154.61 146.05 23.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.5 135.59 38.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.683 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.0 t -118.11 116.76 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.926 ' HG3' HG13 ' A' ' 97' ' ' VAL . 35.7 tt0 -92.32 89.81 6.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.56 HD11 HD12 ' A' ' 65' ' ' ILE . 92.4 mt -72.84 142.95 47.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.6 p -108.7 135.69 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.107 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -105.25 113.13 26.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -57.65 179.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.33 79.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.13 40.92 2.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -120.21 162.37 19.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.1 m -114.98 170.88 8.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.809 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.9 tp -62.12 -66.29 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 57' ' ' SER . . . 84.94 51.42 3.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.4 mt -131.53 113.86 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -86.92 125.97 34.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 pt -109.74 168.23 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 p -148.89 142.37 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.48 94.28 1.37 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -81.55 131.73 35.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.413 . . . . 0.0 110.888 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.0 t -104.72 -33.57 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.156 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.08 96.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 t -45.06 -35.34 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 111.142 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 41' ' ' HIS . 64.5 m -71.1 -34.33 71.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 40' ' ' SER . 12.9 p-80 41.76 39.24 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.2 p -134.83 82.15 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.77 32.6 66.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.507 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 45' ' ' ALA . 10.7 tt0 -122.49 164.78 17.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.887 0.375 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 44' ' ' GLU . . . -33.23 119.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.0 p -168.84 112.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.67 -130.99 3.11 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.461 ' CG2' HD12 ' A' ' 71' ' ' ILE . 26.5 mm -117.4 124.49 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 0.0 111.121 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.447 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 58.8 m-85 -130.34 145.92 51.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.7 t -69.33 94.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -57.87 -43.25 85.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -162.83 173.33 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.0 t -143.59 111.09 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.951 HG22 ' H ' ' A' ' 56' ' ' GLY . 4.1 mp -52.65 124.5 34.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.678 0.752 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.595 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 53.9 Cg_endo -69.74 3.57 2.68 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.951 ' H ' HG22 ' A' ' 54' ' ' ILE . . . -127.16 37.79 2.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.441 ' CB ' ' HA3' ' A' ' 30' ' ' GLY . 65.1 p -137.16 165.25 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.835 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 61' ' ' HIS . . . -49.51 -56.67 9.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.83 -33.65 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 55' ' ' PRO . 38.0 t80 -78.51 -36.82 44.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 58' ' ' ALA . 58.2 m-70 -69.12 -41.0 77.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -58.15 -48.34 80.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.87 35.72 34.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.683 ' HB2' HG11 ' A' ' 19' ' ' VAL . 76.9 m80 -122.81 -39.02 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.56 HD12 HD11 ' A' ' 21' ' ' LEU . 22.0 mt -98.9 118.16 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -143.22 167.87 21.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.4 m -48.68 169.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 62.21 35.9 15.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -136.11 131.63 35.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -95.97 135.4 37.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.734 HG23 HD11 ' A' ' 100' ' ' LEU . 4.6 mt -94.96 122.42 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.2 m -102.44 -26.9 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.37 145.32 20.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.739 HG11 HD23 ' A' ' 91' ' ' LEU . 42.8 t -127.9 117.77 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.698 ' OD1' HG13 ' A' ' 98' ' ' VAL . 0.5 OUTLIER 54.32 40.52 31.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.54 29.19 60.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.8 t -123.25 107.01 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 111.138 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -63.86 92.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 81' ' ' GLY . 7.3 pt -87.67 9.72 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -55.02 84.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 116.31 19.81 5.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -87.09 164.93 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.927 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -85.8 154.97 21.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.524 ' O ' HG23 ' A' ' 88' ' ' VAL . 3.2 t-20 -45.29 -49.05 12.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -71.45 -45.74 61.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.809 ' O ' HG23 ' A' ' 90' ' ' VAL . 4.4 m-20 -50.14 -29.31 8.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 83' ' ' ALA . 57.5 t -82.44 -40.38 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 84' ' ' ASN . 91.6 t -55.87 -49.58 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -61.58 -40.27 94.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 86' ' ' ASP . 78.1 t -54.51 -43.09 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.739 HD23 HG11 ' A' ' 74' ' ' VAL . 12.8 mt -66.75 -44.16 82.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -61.24 -43.44 98.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -59.83 -38.15 81.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.87 142.83 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.53 -158.48 34.65 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.449 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -47.75 -59.39 3.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.926 HG13 ' HG3' ' A' ' 20' ' ' GLU . 94.5 t -75.27 98.9 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.698 HG13 ' OD1' ' A' ' 75' ' ' ASP . 62.3 t -105.88 105.56 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.542 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 7.2 m170 -90.51 94.04 9.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.889 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.734 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -86.12 128.51 34.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.466 ' N ' HD13 ' A' ' 100' ' ' LEU . 9.1 m -103.56 111.43 23.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.666 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -124.44 157.86 34.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.437 ' CG2' ' CB ' ' A' ' 14' ' ' PHE . 1.2 p -134.9 113.3 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -111.95 156.87 21.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 -65.76 131.65 46.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -75.11 177.23 6.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.66 -44.39 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.4 m -143.09 143.22 31.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.7 m -68.84 108.73 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.4 t -120.05 -54.88 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.6 m -151.42 126.34 9.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.7 t -71.09 142.25 87.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.651 0.738 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -173.26 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.662 2.241 . . . . 0.0 112.318 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 59.7 mt -94.15 -49.68 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -134.77 73.46 66.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.618 0.723 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 140.75 43.47 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.334 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 178.71 4.33 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.416 ' O ' ' CG ' ' A' ' 119' ' ' ASP . 63.4 p -113.98 115.63 27.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 118' ' ' SER . 7.9 m-20 -173.44 173.36 3.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -123.09 164.03 19.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -100.11 155.17 19.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 40.5 p -143.58 174.83 10.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 111.177 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.8 m -110.1 127.77 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.6 t -172.81 153.61 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -132.43 141.73 13.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -34.58 14.36 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.4 t 50.01 37.89 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.839 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 26.9 t -79.83 -45.6 18.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.532 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -76.37 103.64 6.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.908 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -131.09 154.6 48.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.813 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.1 94.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -60.89 97.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 110.845 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 t -103.09 81.2 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.18 -158.7 14.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.431 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.32 133.86 4.06 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 t -147.2 164.89 31.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -168.72 110.94 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' SER . 22.8 t -121.26 155.45 34.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 11' ' ' SER . 36.6 m 34.46 54.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.828 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.41 ' O ' ' CD ' ' A' ' 106' ' ' LYS . 5.1 mp -40.21 -31.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.485 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 31.5 m-85 -101.28 145.62 28.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -118.06 140.37 49.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -102.93 137.33 41.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -137.42 147.05 45.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -97.7 132.87 42.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -119.62 113.81 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 14.4 tt0 -88.29 110.02 20.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.579 HD11 HD12 ' A' ' 65' ' ' ILE . 72.8 mt -96.24 144.68 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -106.31 136.05 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -111.82 105.36 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.01 177.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -66.88 80.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.39 41.28 1.92 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -124.05 129.24 50.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 0.0 110.905 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.4 m -84.32 175.85 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.43 HD21 HD12 ' A' ' 31' ' ' ILE . 11.0 tp -67.91 -69.58 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.675 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 89.37 43.7 5.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.54 HD11 ' HB2' ' A' ' 59' ' ' ALA . 87.1 mt -127.02 114.02 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 111.115 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mmt-85 -90.14 137.59 32.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 pt -114.28 166.57 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.3 p -137.76 149.06 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.581 ' N ' HD21 ' A' ' 84' ' ' ASN . . . -102.43 105.62 2.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -92.18 152.47 19.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.918 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.8 m -130.23 -30.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.36 57.99 3.48 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 40' ' ' SER . 10.0 t -62.76 -44.07 97.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.469 ' N ' HG23 ' A' ' 39' ' ' THR . 1.3 t -55.18 151.17 9.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -92.06 33.97 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.8 p -138.81 135.16 34.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 44.86 80.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -46.89 107.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.8 99.92 6.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.4 p -137.23 135.11 36.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.62 -172.81 31.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.9 mm -97.93 121.59 48.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.379 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 20.8 m-85 -122.65 153.56 39.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 67.2 t -70.44 106.13 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -43.35 75.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 m -163.21 168.2 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.693 HG21 ' HA ' ' A' ' 66' ' ' GLN . 69.3 t -140.55 113.23 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.151 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.764 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.6 mp -56.59 135.09 77.58 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 111.092 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.534 ' HD2' HG23 ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.74 162.61 41.4 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.537 ' HA2' ' CE1' ' A' ' 61' ' ' HIS . . . 53.2 30.65 39.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.495 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 19.2 p -115.14 -177.58 3.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.98 -48.72 72.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.072 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -62.91 -54.28 40.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -57.21 -55.35 35.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.537 ' CE1' ' HA2' ' A' ' 56' ' ' GLY . 22.3 m-70 -48.28 -52.53 20.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.877 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -49.82 -51.85 36.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.59 33.75 24.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.44 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -128.59 -30.13 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.743 0.306 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.579 HD12 HD11 ' A' ' 21' ' ' LEU . 11.4 mt -113.97 104.82 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.693 ' HA ' HG21 ' A' ' 53' ' ' VAL . 1.1 pm0 -146.71 177.44 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.6 m -42.59 162.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 64.01 46.32 3.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -146.62 142.27 27.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 3.9 ttpp -107.25 125.27 50.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.468 HG12 HD11 ' A' ' 100' ' ' LEU . 53.9 mt -97.09 128.5 48.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 m -106.4 -32.09 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.76 135.3 20.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.543 HG12 ' OD2' ' A' ' 75' ' ' ASP . 96.8 t -106.1 116.65 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.543 ' OD2' HG12 ' A' ' 74' ' ' VAL . 3.5 p30 50.48 35.42 11.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.11 -23.26 37.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.2 t -72.91 109.19 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -68.49 90.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.54 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 4.9 pt -82.48 19.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -58.08 90.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 100.51 28.98 6.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.54 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.2 m-85 -90.18 146.15 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.754 ' HB1' ' CE1' ' A' ' 85' ' ' HIS . . . -68.58 138.45 55.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.581 HD21 ' N ' ' A' ' 35' ' ' GLY . 5.9 m120 -33.62 -43.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.754 ' CE1' ' HB1' ' A' ' 83' ' ' ALA . 11.9 p-80 -73.91 -47.19 39.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.927 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.4 m-20 -49.0 -37.6 20.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.0 t -70.9 -39.04 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 84' ' ' ASN . 99.1 t -56.34 -54.67 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 8.7 pt-20 -58.3 -38.21 76.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.927 HG23 ' O ' ' A' ' 86' ' ' ASP . 94.0 t -56.46 -42.65 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.472 HD23 HG11 ' A' ' 74' ' ' VAL . 15.6 mt -63.5 -47.99 79.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -57.76 -42.72 84.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -59.8 -40.68 89.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.641 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -47.15 151.52 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.504 ' O ' HG23 ' A' ' 98' ' ' VAL . . . -109.67 -153.48 14.71 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.519 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -51.87 -61.21 2.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.413 HG13 ' HG3' ' A' ' 20' ' ' GLU . 99.6 t -77.08 99.99 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.641 HG22 ' HB1' ' A' ' 94' ' ' ALA . 88.4 t -113.83 107.98 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.435 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 11.2 m80 -91.57 99.3 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.664 HD12 HD11 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -80.14 129.68 34.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.3 m -105.52 109.36 21.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.664 HD11 HD12 ' A' ' 100' ' ' LEU . 1.0 OUTLIER -120.75 162.01 20.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.7 p -139.39 108.52 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -108.47 164.73 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -72.43 131.82 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.41 ' CD ' ' O ' ' A' ' 13' ' ' LEU . 4.0 mtpm? -77.4 171.75 14.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.2 m -104.37 154.78 19.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.2 p -43.65 -52.82 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.2 t -47.33 143.14 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.3 t 57.34 42.94 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 13.0 t -71.11 154.29 41.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.08 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 46.5 t -43.67 143.76 1.54 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.665 0.745 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -176.0 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.724 2.283 . . . . 0.0 112.344 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 52.8 mt -70.12 -42.62 72.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -133.3 73.91 73.17 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.65 0.738 . . . . 0.0 110.827 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 167.17 25.27 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 133.68 26.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.341 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.0 m 58.86 48.23 11.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -83.67 152.34 24.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.8 ttp85 -170.3 153.15 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.521 ' O ' ' C ' ' A' ' 122' ' ' THR . . . 147.42 -50.77 0.58 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 122' ' ' THR . 9.0 t 26.28 47.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 111.093 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 121' ' ' GLY . 34.5 m -88.26 171.28 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.16 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.3 p -83.89 114.76 21.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.419 ' HA2' ' HD2' ' A' ' 126' ' ' PRO . . . -173.57 108.2 0.27 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.419 ' HD2' ' HA2' ' A' ' 125' ' ' GLY . 53.7 Cg_endo -69.83 -15.47 36.86 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.306 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 t -137.07 159.54 41.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.8 p -94.41 -61.42 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.488 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.816 0.341 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.442 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . 2.5 m-85 -100.72 171.69 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -130.11 129.82 44.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.9 m -94.55 144.82 25.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -148.36 147.45 29.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -98.49 138.76 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.646 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.5 t -123.85 114.27 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.712 ' HG3' HG13 ' A' ' 97' ' ' VAL . 15.0 tt0 -88.9 97.57 11.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.728 HD11 HD12 ' A' ' 65' ' ' ILE . 63.0 mt -85.56 147.93 26.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.8 p -111.4 134.73 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -105.22 104.95 14.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -50.63 175.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -67.05 83.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.08 40.52 2.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -120.4 160.14 23.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.7 p -111.38 178.56 4.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.705 ' CD2' HD22 ' A' ' 91' ' ' LEU . 10.1 tp -68.56 -52.67 29.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.43 43.76 29.69 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.547 HD11 ' HB2' ' A' ' 59' ' ' ALA . 89.1 mt -131.56 119.39 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 111.15 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -89.99 135.71 33.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.1 pt -114.28 160.24 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.5 p -133.81 141.75 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.68 ' N ' HD21 ' A' ' 84' ' ' ASN . . . -103.96 109.53 3.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.911 0.386 . . . . 0.0 110.935 -179.832 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.984 0.421 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.95 -178.59 20.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.516 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.1 mm -89.87 123.08 41.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.508 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 80.1 m-85 -127.26 150.79 49.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.587 HG23 HD11 ' A' ' 71' ' ' ILE . 97.0 t -72.23 95.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.14 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -58.57 -45.55 88.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.453 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 4.3 m -159.31 179.11 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.486 HG21 ' HA ' ' A' ' 66' ' ' GLN . 59.7 t -137.04 110.17 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.3 mp -60.22 128.17 87.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.651 0.739 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.9 66.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.653 2.236 . . . . 0.0 112.364 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.97 29.06 69.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.53 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 6.3 p -122.2 174.51 6.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.66 -55.82 19.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.547 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -52.18 -56.02 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -54.11 -51.26 64.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 57' ' ' SER . 66.8 m-70 -55.41 -54.76 39.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.473 ' ND2' HD23 ' A' ' 21' ' ' LEU . 22.8 t30 -50.12 -53.81 24.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.55 29.73 35.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.646 ' HB2' HG11 ' A' ' 19' ' ' VAL . 14.1 m170 -115.62 -40.53 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.311 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.728 HD12 HD11 ' A' ' 21' ' ' LEU . 18.0 mt -97.67 122.42 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.486 ' HA ' HG21 ' A' ' 53' ' ' VAL . 16.3 mp0 -143.94 168.94 18.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 27.3 m -50.09 170.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 62.18 41.65 10.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -134.24 148.04 50.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.508 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.7 ttpt -109.56 111.24 22.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.587 HD11 HG23 ' A' ' 50' ' ' VAL . 5.3 mp -82.56 121.03 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 m -102.52 -22.88 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.43 144.14 13.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.597 HG11 HD23 ' A' ' 91' ' ' LEU . 84.1 t -115.42 115.83 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.48 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 2.4 p30 51.13 33.66 9.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.17 -22.73 38.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.453 HG21 HG13 ' A' ' 90' ' ' VAL . 95.7 t -69.76 109.65 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -68.98 86.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.534 HD11 HG22 ' A' ' 71' ' ' ILE . 6.6 pt -86.83 14.67 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' ILE . 66.6 mt-30 -37.59 -62.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.07 48.12 0.98 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.2 m-85 -101.7 168.26 9.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.39 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.76 153.05 22.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.683 ' O ' HG23 ' A' ' 88' ' ' VAL . 25.8 m120 -38.26 -54.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -63.26 -43.08 99.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.609 ' O ' HG23 ' A' ' 90' ' ' VAL . 11.5 t0 -60.66 -31.12 70.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 69.9 t -78.95 -35.6 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 84' ' ' ASN . 91.8 t -58.5 -53.13 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.03 -38.49 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 86' ' ' ASP . 74.1 t -58.54 -46.25 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.705 HD22 ' CD2' ' A' ' 29' ' ' LEU . 29.4 mt -59.2 -47.55 84.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -61.74 -40.94 96.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -64.04 -38.37 90.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.83 145.3 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.32 -157.51 32.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -51.39 -62.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.712 HG13 ' HG3' ' A' ' 20' ' ' GLU . 93.3 t -71.04 100.64 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 70.5 t -110.53 105.42 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 75' ' ' ASP . 13.0 m80 -90.55 93.29 9.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.583 HD13 ' H ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -78.18 135.5 37.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.583 ' H ' HD13 ' A' ' 100' ' ' LEU . 11.6 m -108.35 106.17 16.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.524 HD21 HG23 ' A' ' 65' ' ' ILE . 1.3 mp -116.92 158.75 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 14' ' ' PHE . 3.3 p -140.81 112.16 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -113.29 154.21 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -61.37 126.5 27.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.6 mttt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mm? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.848 0.356 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.49 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . 2.8 m-85 -104.53 170.91 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -126.7 130.88 51.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -96.76 135.32 38.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 102' ' ' LEU . 32.2 p90 -141.86 151.25 42.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.961 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.452 HD22 ' N ' ' A' ' 18' ' ' ASN . 1.7 m-80 -104.62 134.36 47.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.465 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.4 t -119.01 113.69 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.658 ' HG3' HG13 ' A' ' 97' ' ' VAL . 8.2 tt0 -85.42 103.03 13.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.782 HD11 ' CD1' ' A' ' 65' ' ' ILE . 48.0 mt -94.03 142.61 27.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 p -105.95 136.59 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -115.74 109.77 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -49.71 -179.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -72.29 83.02 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.828 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.87 35.64 2.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -120.08 136.66 54.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.1 p -83.84 156.79 22.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.567 ' CD2' HD22 ' A' ' 91' ' ' LEU . 15.1 tp -48.49 -52.85 20.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.422 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 82.89 51.41 4.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.412 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 86.0 mt -142.21 114.15 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 111.146 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -84.63 144.69 28.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.4 pt -121.19 170.95 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 p -155.25 141.89 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.75 131.31 10.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.938 0.399 . . . . 0.0 110.955 -179.849 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.5 p . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.939 0.4 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.28 174.39 16.5 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mm -85.4 128.57 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 111.142 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.514 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 91.2 m-85 -129.29 159.75 35.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.2 t -82.12 101.72 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -67.12 -35.5 79.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -164.58 174.68 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.0 t -134.19 95.49 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.0 mp -40.72 132.43 1.77 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.4 ' HD2' HG23 ' A' ' 54' ' ' ILE . 53.8 Cg_endo -69.75 160.9 48.0 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.723 2.282 . . . . 0.0 112.335 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 48.07 35.49 13.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.8 p -117.99 175.47 5.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.883 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.2 -56.73 17.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.412 ' HB2' ' CG1' ' A' ' 31' ' ' ILE . . . -51.43 -43.73 62.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -66.07 -47.49 74.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -56.43 -48.62 76.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.42 ' ND2' HG12 ' A' ' 19' ' ' VAL . 21.3 t30 -59.11 -47.05 86.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.33 34.42 54.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.465 ' HB2' HG11 ' A' ' 19' ' ' VAL . 6.7 m-70 -117.03 -39.59 3.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.782 ' CD1' HD11 ' A' ' 21' ' ' LEU . 20.5 mt -95.99 128.67 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -143.98 172.53 12.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.437 HG23 ' ND2' ' A' ' 68' ' ' ASN . 28.1 m -59.34 173.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.437 ' ND2' HG23 ' A' ' 67' ' ' VAL . 2.4 m-20 62.8 35.23 13.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.51 152.38 50.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 4.5 ttpp -113.41 128.34 56.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.682 HG12 HD11 ' A' ' 100' ' ' LEU . 4.0 mp -96.79 128.87 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.9 m -107.93 -22.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.62 145.69 18.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.2 t -121.32 107.8 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.7 t70 63.83 31.03 14.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.87 -15.56 62.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.5 t -82.51 114.39 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -68.82 91.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.475 HD11 HG22 ' A' ' 71' ' ' ILE . 6.2 pt -85.12 16.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.47 96.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.07 -16.15 33.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -51.72 129.93 27.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.929 0.395 . . . . 0.0 110.848 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.696 ' HB3' ' OD2' ' A' ' 86' ' ' ASP . . . -62.95 157.93 20.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.578 ' O ' HG23 ' A' ' 88' ' ' VAL . 27.2 t-20 -39.48 -52.6 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -68.7 -48.83 62.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.7 ' O ' HG23 ' A' ' 90' ' ' VAL . 22.6 m-20 -46.02 -36.86 6.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.7 t -76.09 -37.38 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 84' ' ' ASN . 95.4 t -55.33 -56.77 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 9.7 pt-20 -53.13 -37.19 61.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 86' ' ' ASP . 93.3 t -57.57 -46.99 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.567 HD22 ' CD2' ' A' ' 29' ' ' LEU . 17.2 mt -60.41 -46.14 91.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -59.9 -40.25 88.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -63.52 -38.75 92.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.93 161.46 2.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.85 -149.13 9.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -58.07 -58.31 9.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.862 0.363 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.658 HG13 ' HG3' ' A' ' 20' ' ' GLU . 90.4 t -75.48 96.53 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.45 106.1 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 20.1 m80 -89.96 92.23 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.682 HD11 HG12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -75.8 127.46 33.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.416 ' N ' HD13 ' A' ' 100' ' ' LEU . 8.3 m -100.66 111.93 24.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 2.4 mp -119.49 155.28 32.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.49 ' CG2' ' HB2' ' A' ' 14' ' ' PHE . 2.1 p -133.74 107.21 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -107.56 154.73 20.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -67.47 132.46 47.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.0 mttm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.407 ' N ' HD22 ' A' ' 13' ' ' LEU . 3.9 mm? . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.854 0.359 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.403 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . 2.5 m-85 -100.82 173.55 6.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.432 ' HB3' ' CE ' ' A' ' 106' ' ' LYS . 2.2 pt-20 -135.82 129.71 32.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.1 m -94.32 139.84 30.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -144.3 145.04 31.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -95.1 136.25 35.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.537 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.9 t -121.94 115.47 46.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.442 ' O ' ' CD ' ' A' ' 20' ' ' GLU . 4.4 tm-20 -90.35 102.03 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.808 HD11 ' CD1' ' A' ' 65' ' ' ILE . 47.1 mt -92.41 137.63 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.6 131.7 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.186 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -99.1 106.97 19.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -57.87 169.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.74 85.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.88 44.13 5.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.466 ' HG2' ' N ' ' A' ' 28' ' ' SER . 40.8 tt0 -118.1 152.6 35.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.347 . . . . 0.0 110.907 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.466 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 65.2 m -102.26 152.07 21.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.543 ' CD2' HD22 ' A' ' 91' ' ' LEU . 12.1 tp -46.39 -61.18 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.64 47.34 4.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.55 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.495 HD12 ' CD2' ' A' ' 29' ' ' LEU . 80.8 mt -136.26 121.0 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.458 ' HG2' HD11 ' A' ' 54' ' ' ILE . 17.8 mmt180 -94.97 128.66 41.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.497 HD13 ' HB ' ' A' ' 87' ' ' VAL . 7.5 pt -106.31 173.75 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 p -152.14 147.46 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.58 106.99 3.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.914 -179.8 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.947 0.403 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.76 -164.14 34.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.411 ' CG2' ' HB ' ' A' ' 33' ' ' ILE . 17.7 mm -101.05 137.53 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.484 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 13.5 m-85 -137.34 146.94 45.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.762 HG23 HD11 ' A' ' 71' ' ' ILE . 87.6 t -69.21 101.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -68.1 -42.94 79.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.7 m -160.38 170.54 20.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.4 t -132.6 105.4 8.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.734 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.2 mp -51.6 130.43 35.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.659 0.742 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 156.01 64.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.7 28.59 63.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.5 p -115.03 170.85 8.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.32 -51.84 41.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.24 -53.69 55.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -53.13 -51.84 60.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -53.88 -53.09 57.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -49.77 -54.78 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.75 33.5 24.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.446 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.537 ' HB2' HG11 ' A' ' 19' ' ' VAL . 12.3 m-70 -118.68 -39.7 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.808 ' CD1' HD11 ' A' ' 21' ' ' LEU . 17.4 mt -93.48 125.97 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -143.17 167.13 22.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.5 m -56.82 171.68 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 64.66 40.24 5.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -133.38 157.06 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.484 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 18.0 ttpt -116.24 113.4 22.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.762 HD11 HG23 ' A' ' 50' ' ' VAL . 5.0 mp -83.84 121.07 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.1 m -105.51 -29.04 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.544 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -146.4 142.68 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.753 HG11 HD23 ' A' ' 91' ' ' LEU . 89.0 t -129.32 118.97 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.4 t70 63.63 35.91 11.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.96 25.33 69.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.7 t -124.86 116.69 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -62.88 96.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.624 HD11 HG22 ' A' ' 71' ' ' ILE . 6.6 pt -86.91 15.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.181 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -56.92 92.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.25 -25.54 7.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.496 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 7.0 m-85 -47.78 130.78 14.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.895 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.454 ' N ' ' HB2' ' A' ' 86' ' ' ASP . . . -67.88 166.38 15.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.4 ' O ' HD11 ' A' ' 33' ' ' ILE . 13.4 t-20 -42.66 -60.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -63.06 -45.41 92.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.758 ' O ' HG23 ' A' ' 90' ' ' VAL . 10.3 m-20 -48.79 -32.33 8.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.497 ' HB ' HD13 ' A' ' 33' ' ' ILE . 84.5 t -82.59 -39.09 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.2 t -57.05 -49.98 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -58.87 -39.43 81.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 86' ' ' ASP . 84.7 t -55.96 -42.7 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.753 HD23 HG11 ' A' ' 74' ' ' VAL . 21.8 mt -63.44 -47.7 80.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -59.48 -43.3 93.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -61.07 -40.01 92.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.22 157.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.37 -155.85 19.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -50.1 -61.38 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.407 HG13 ' HG2' ' A' ' 20' ' ' GLU . 89.5 t -73.6 95.42 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 96.1 t -104.8 100.03 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.413 ' NE2' ' HB2' ' A' ' 20' ' ' GLU . 6.1 m80 -86.74 99.93 12.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.486 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -85.63 132.52 34.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.544 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . 9.9 m -105.6 109.37 21.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.584 HD21 HG23 ' A' ' 65' ' ' ILE . 1.5 mp -120.35 158.38 27.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 103' ' ' VAL . 3.0 p -141.86 112.21 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -111.95 155.49 23.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -68.33 122.31 18.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.432 ' CE ' ' HB3' ' A' ' 15' ' ' GLU . 24.3 mttt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.3 mm? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.829 0.347 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -113.4 159.98 18.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -119.28 133.56 55.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.2 m -98.95 142.98 29.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.402 ' CE2' HD13 ' A' ' 102' ' ' LEU . 30.8 p90 -144.31 144.74 31.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -96.5 133.07 41.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.568 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.5 t -119.37 113.21 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -88.28 93.92 9.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.789 HD11 ' CD1' ' A' ' 65' ' ' ILE . 52.7 mt -83.37 142.47 31.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.7 p -108.3 140.66 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -107.89 105.85 15.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -53.48 173.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -60.96 89.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.08 42.25 4.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.456 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -119.25 159.74 23.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.0 p -113.07 179.73 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.425 ' CD2' HD22 ' A' ' 91' ' ' LEU . 9.2 tp -74.74 -50.93 15.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.62 44.77 62.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.528 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.595 HD11 ' HB2' ' A' ' 59' ' ' ALA . 88.6 mt -129.03 99.54 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.106 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.552 ' HG2' HD11 ' A' ' 54' ' ' ILE . 30.1 mmt180 -72.57 133.38 44.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.9 pt -109.53 162.84 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 p -135.86 142.97 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.88 109.2 3.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.821 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.12 -161.67 25.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.412 ' C ' ' CD1' ' A' ' 49' ' ' TYR . 28.0 mm -98.92 140.62 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.554 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 15.7 m-85 -142.77 159.77 41.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.603 HG23 HD11 ' A' ' 71' ' ' ILE . 79.0 t -78.01 105.82 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -69.5 -47.96 62.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.9 p -147.83 167.68 24.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.553 HG21 ' HA ' ' A' ' 66' ' ' GLN . 98.0 t -132.98 86.12 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.802 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.8 mp -47.77 131.92 11.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 164.1 35.85 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.13 18.23 47.83 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 p -110.88 161.06 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.92 0.391 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.01 -47.37 11.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.595 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -57.91 -58.67 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -54.58 -55.48 28.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -50.15 -54.46 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.586 ' ND2' ' CD2' ' A' ' 64' ' ' HIS . 14.5 t30 -52.36 -45.86 65.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.12 35.31 53.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.586 ' CD2' ' ND2' ' A' ' 62' ' ' ASN . 76.7 m-70 -120.46 -38.9 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 110.823 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.789 ' CD1' HD11 ' A' ' 21' ' ' LEU . 20.2 mt -97.65 122.81 49.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.553 ' HA ' HG21 ' A' ' 53' ' ' VAL . 10.9 mp0 -140.88 166.35 25.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.0 m -52.6 172.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 59.77 33.81 21.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.83 147.37 47.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.554 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.8 ttpt -108.66 120.06 41.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.603 HD11 HG23 ' A' ' 50' ' ' VAL . 3.8 mp -92.35 124.19 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.6 m -105.0 -22.09 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.458 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -156.76 141.18 16.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.814 HG11 HD23 ' A' ' 91' ' ' LEU . 99.8 t -124.33 123.99 67.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.442 ' OD2' ' HB1' ' A' ' 94' ' ' ALA . 2.0 t70 62.73 30.25 16.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.33 20.84 65.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 81.5 t -120.31 121.58 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.377 . . . . 0.0 111.094 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -65.8 94.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.9 pt -90.05 17.77 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -59.92 90.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.4 -15.92 9.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -54.01 133.24 43.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.48 ' N ' ' HB2' ' A' ' 86' ' ' ASP . . . -66.6 159.58 27.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.578 ' O ' HG23 ' A' ' 88' ' ' VAL . 24.4 t-20 -39.69 -54.36 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -68.25 -45.34 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.78 ' O ' HG23 ' A' ' 90' ' ' VAL . 4.0 m-20 -49.35 -33.24 13.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.92 -39.65 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 84' ' ' ASN . 99.3 t -56.23 -49.84 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 14.0 pt-20 -59.82 -37.55 79.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 86' ' ' ASP . 97.2 t -57.86 -45.42 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.814 HD23 HG11 ' A' ' 74' ' ' VAL . 13.7 mt -63.5 -46.74 84.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -61.31 -40.96 96.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -62.28 -38.18 88.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.476 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -56.65 152.6 11.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.436 ' O ' HG23 ' A' ' 98' ' ' VAL . . . -101.72 -150.5 23.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.457 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -54.06 -59.68 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.925 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.62 96.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.476 HG22 ' HB1' ' A' ' 94' ' ' ALA . 74.7 t -109.53 100.02 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 75' ' ' ASP . 11.4 m80 -84.74 103.61 13.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.452 HD13 ' N ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -88.07 131.66 34.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.458 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . 6.6 m -106.96 111.2 23.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.18 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.501 HD21 HG12 ' A' ' 65' ' ' ILE . 1.1 mp -119.38 159.63 23.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.01 111.76 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -113.33 160.4 18.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -66.09 132.12 47.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.859 0.361 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 11.7 m-85 -118.11 151.47 37.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -117.26 141.45 48.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.7 m -109.4 144.84 37.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -155.5 151.22 27.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.05 135.0 43.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.464 ' HB ' HD11 ' A' ' 65' ' ' ILE . 2.2 t -113.9 117.87 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.795 ' HG3' HG13 ' A' ' 97' ' ' VAL . 18.3 tt0 -92.68 90.12 6.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.769 HD11 HD12 ' A' ' 65' ' ' ILE . 79.7 mt -78.18 147.66 34.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -111.49 132.01 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -111.06 107.21 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -52.04 -178.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -72.25 82.26 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.99 -43.21 1.39 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -52.65 139.99 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.339 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 m -101.44 159.78 14.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 tp -37.76 -69.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.541 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 89.68 55.33 2.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.445 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' ' 59' ' ' ALA . 66.1 mt -143.4 126.07 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.347 . . . . 0.0 111.072 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -99.98 138.65 36.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.0 pt -117.2 164.01 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.08 160.03 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -117.33 85.79 0.4 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.942 0.401 . . . . 0.0 110.923 -179.77 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.9 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.885 0.374 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.33 -153.05 23.56 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.3 mm -102.04 124.16 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 76.3 m-85 -130.1 145.89 51.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.558 HG23 HD11 ' A' ' 71' ' ' ILE . 55.2 t -66.36 104.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -67.71 -38.23 83.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -165.41 175.96 8.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.718 HG21 ' HA ' ' A' ' 66' ' ' GLN . 90.5 t -143.35 114.14 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.735 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.4 mp -57.93 132.55 83.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HD2' HG23 ' A' ' 54' ' ' ILE . 53.5 Cg_endo -69.75 157.82 59.07 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.356 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.54 32.08 68.18 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.1 p -118.92 -176.35 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.361 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.67 -52.61 35.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.136 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.623 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -57.48 -46.67 83.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -63.33 -55.97 20.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -50.29 -56.16 12.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.439 ' ND2' ' CG1' ' A' ' 19' ' ' VAL . 21.2 t30 -47.64 -46.77 29.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.33 34.45 50.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -123.44 -32.06 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.786 0.327 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.769 HD12 HD11 ' A' ' 21' ' ' LEU . 21.1 mt -111.96 102.12 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.718 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -140.64 175.74 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.7 m -42.31 164.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 60.6 45.99 9.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -138.42 135.8 35.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 4.0 ttpt -102.72 114.45 28.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.558 HD11 HG23 ' A' ' 50' ' ' VAL . 5.1 mp -86.44 124.14 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.3 m -104.77 -22.23 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.569 ' HB3' ' HB ' ' A' ' 101' ' ' THR . . . -158.75 151.4 21.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.404 HG11 HD23 ' A' ' 91' ' ' LEU . 98.1 t -131.86 119.48 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.544 ' OD1' HG13 ' A' ' 98' ' ' VAL . 0.7 OUTLIER 59.94 36.34 21.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.23 26.62 61.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.7 t -124.39 118.35 53.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.847 0.356 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -66.32 96.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.439 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 5.9 pt -92.61 18.19 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -59.33 93.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.18 -19.57 13.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.4 m-85 -47.7 134.07 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -71.04 153.14 42.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.632 ' O ' HG23 ' A' ' 88' ' ' VAL . 20.6 t-20 -34.44 -57.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -64.81 -46.79 80.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.502 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.3 m-20 -51.56 -32.81 29.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' ' 82' ' ' PHE . 77.8 t -81.64 -33.59 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 84' ' ' ASN . 72.9 t -58.81 -51.53 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.42 -41.54 72.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 86' ' ' ASP . 91.5 t -55.99 -39.93 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.404 HD23 HG11 ' A' ' 74' ' ' VAL . 34.4 mt -65.88 -47.03 76.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -58.05 -43.45 86.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -58.9 -36.35 74.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.84 145.37 55.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -104.64 -150.07 20.12 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -48.81 -60.9 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.795 HG13 ' HG3' ' A' ' 20' ' ' GLU . 81.9 t -73.59 101.54 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.544 HG13 ' OD1' ' A' ' 75' ' ' ASP . 65.6 t -110.98 104.35 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 11.2 m80 -89.39 92.42 9.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.56 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -83.41 132.63 34.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.569 ' HB ' ' HB3' ' A' ' 73' ' ' ALA . 15.7 m -106.78 110.29 22.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.56 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -122.39 165.08 16.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.6 p -139.7 106.56 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -104.45 160.35 14.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -71.16 126.48 29.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.456 ' HD2' ' C ' ' A' ' 14' ' ' PHE . 14.2 mtpt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.45 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 21.2 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.878 0.371 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.658 ' HB3' HG22 ' A' ' 103' ' ' VAL . 8.9 m-85 -111.15 157.62 19.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -124.02 131.66 53.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.3 m -97.06 144.19 27.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.409 ' CE1' ' NE ' ' A' ' 104' ' ' ARG . 48.3 p90 -151.18 153.65 35.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.03 132.03 51.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.552 ' HB ' HD11 ' A' ' 65' ' ' ILE . 2.0 t -113.14 109.91 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.893 ' HG3' HG13 ' A' ' 97' ' ' VAL . 32.4 tt0 -86.96 88.58 7.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.962 HD11 HD12 ' A' ' 65' ' ' ILE . 47.3 mt -79.85 137.23 36.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -102.09 132.22 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -101.57 99.54 9.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -50.87 179.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -60.86 89.85 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.9 -39.49 2.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.518 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -48.86 119.56 3.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.5 m -86.44 173.0 9.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 tp -56.53 -65.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.04 55.47 3.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 59' ' ' ALA . 83.5 mt -137.16 120.3 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 111.129 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -96.13 139.0 32.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.6 pt -117.96 173.14 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 p -152.03 149.47 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.444 ' N ' HD21 ' A' ' 84' ' ' ASN . . . -102.7 115.28 5.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.946 0.403 . . . . 0.0 110.884 -179.793 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.9 p . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.923 0.392 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.25 -169.65 42.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.7 mm -99.96 122.16 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.161 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.522 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 37.1 m-85 -129.06 148.67 51.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.5 t -63.9 120.18 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -78.83 -40.54 32.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.437 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 1.8 m -167.74 169.46 11.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.553 HG21 ' HA ' ' A' ' 66' ' ' GLN . 17.4 t -130.19 129.56 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.537 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.3 mp -75.86 124.93 88.76 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.719 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 121.87 8.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.0 16.57 18.69 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.7 p -112.82 176.18 5.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 0.0 110.893 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.94 -46.95 87.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.07 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.585 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -58.5 -32.88 69.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -82.17 -18.96 40.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.979 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -77.32 -46.29 23.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.474 ' ND2' ' CG1' ' A' ' 19' ' ' VAL . 16.2 t-20 -68.42 -40.22 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.72 18.73 78.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.41 ' CA ' HE22 ' A' ' 66' ' ' GLN . 19.5 m-70 -106.04 -15.5 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.962 HD12 HD11 ' A' ' 21' ' ' LEU . 38.2 mt -122.24 95.11 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.553 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -134.93 177.91 7.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.437 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 16.3 m -50.36 165.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 64.94 38.37 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -130.93 157.53 42.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.522 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.8 ttpt -119.36 126.19 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.447 HG23 HD11 ' A' ' 100' ' ' LEU . 41.3 mt -94.36 123.87 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.528 ' CG2' HG22 ' A' ' 101' ' ' THR . 3.1 m -102.79 -34.12 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -150.84 149.81 30.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.781 HG11 HD23 ' A' ' 91' ' ' LEU . 48.3 t -132.41 110.09 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.06 39.03 13.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.6 24.6 67.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 79' ' ' ILE . 71.4 t -119.23 108.42 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.153 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -64.14 93.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 81' ' ' GLY . 6.5 pt -88.45 10.08 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -58.48 78.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 122.71 17.65 3.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -87.96 149.13 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -73.59 145.58 45.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.055 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' ALA . 4.5 m120 -34.52 -61.32 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -59.36 -45.02 92.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.669 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.6 m-20 -52.53 -29.35 24.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.3 t -83.39 -35.27 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 84' ' ' ASN . 75.3 t -60.71 -41.71 89.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 4.4 pt-20 -68.26 -31.64 71.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 86' ' ' ASP . 93.7 t -65.66 -46.13 90.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.781 HD23 HG11 ' A' ' 74' ' ' VAL . 15.2 mt -62.12 -42.56 99.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -64.82 -37.81 88.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 89' ' ' GLU . 28.6 m-80 -63.65 -32.82 74.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.22 148.53 36.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.51 -158.66 28.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -43.81 -61.04 1.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.893 HG13 ' HG3' ' A' ' 20' ' ' GLU . 90.9 t -73.94 96.55 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 56.4 t -102.72 97.23 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 5.2 m80 -82.04 94.78 7.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.515 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -85.68 125.59 33.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.528 HG22 ' CG2' ' A' ' 72' ' ' VAL . 6.5 m -102.48 116.38 32.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -135.37 160.08 39.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.658 HG22 ' HB3' ' A' ' 14' ' ' PHE . 2.5 p -132.66 121.28 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.409 ' NE ' ' CE1' ' A' ' 17' ' ' TYR . 70.1 mtm180 -108.01 155.45 20.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.491 ' HD2' ' CE2' ' A' ' 14' ' ' PHE . 37.9 ttt180 -78.47 120.89 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.45 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 8.9 mttm . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.436 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.8 mm? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.851 0.357 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.483 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 9.5 m-85 -111.78 167.86 10.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -131.7 121.11 23.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 85.6 m -83.82 127.87 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 102' ' ' LEU . 25.2 p90 -131.0 147.29 52.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.82 142.85 33.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' A' ' 64' ' ' HIS . 1.3 t -125.37 109.53 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.613 ' HG3' HG13 ' A' ' 97' ' ' VAL . 27.5 tt0 -86.47 91.19 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.477 HD11 HD12 ' A' ' 65' ' ' ILE . 59.5 mt -78.86 154.61 29.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 22' ' ' VAL . 9.2 p -116.59 129.43 73.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -99.09 104.62 16.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.443 ' N ' ' HB3' ' A' ' 27' ' ' GLN . 52.4 mttt -59.72 -179.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.61 89.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 79.18 36.28 27.95 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.443 ' HB3' ' N ' ' A' ' 24' ' ' LYS . 6.5 tp60 -103.31 122.37 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.93 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 m -80.43 168.71 18.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.579 ' CD2' HD22 ' A' ' 91' ' ' LEU . 11.1 tp -61.8 -62.89 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.11 48.34 5.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.527 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.7 mt -131.62 110.71 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.345 . . . . 0.0 111.113 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.519 ' HG2' HD11 ' A' ' 54' ' ' ILE . 16.2 mmm180 -84.68 131.26 34.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.5 pt -110.85 175.96 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.3 p -156.76 143.44 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.45 115.4 4.71 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.926 0.393 . . . . 0.0 110.924 -179.812 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.53 -171.01 31.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 mm -96.96 123.49 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.442 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 81.1 m-85 -123.67 153.64 40.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.2 t -75.92 105.56 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -70.01 -41.85 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -159.2 169.73 23.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.51 HG21 ' HA ' ' A' ' 66' ' ' GLN . 53.8 t -131.59 98.97 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.6 mp -52.31 123.06 27.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.63 0.728 . . . . 0.0 111.128 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 154.54 67.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.33 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.19 14.43 80.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 p -112.11 179.15 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.841 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.02 79.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.46 -47.6 78.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -67.8 -41.48 83.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -59.02 -47.07 86.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.429 ' ND2' HG12 ' A' ' 19' ' ' VAL . 32.4 t30 -58.42 -57.95 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.52 28.84 18.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.503 ' HB2' HG11 ' A' ' 19' ' ' VAL . 13.2 m170 -116.83 -40.57 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.477 HD12 HD11 ' A' ' 21' ' ' LEU . 22.2 mt -95.28 114.52 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.51 ' HA ' HG21 ' A' ' 53' ' ' VAL . 2.9 mp0 -130.45 -175.1 3.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 33.1 m -67.42 174.37 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 57.85 29.87 18.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -120.03 146.78 45.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 11.1 ttpt -107.56 145.83 32.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.605 ' CG2' HD11 ' A' ' 79' ' ' ILE . 4.1 mp -111.71 145.33 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 m -124.4 -27.2 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.33 147.7 24.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.599 HG11 HD23 ' A' ' 91' ' ' LEU . 86.7 t -130.09 116.07 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.7 t70 63.31 28.61 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.34 10.14 68.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.9 t -108.74 120.13 59.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -68.97 91.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.605 HD11 ' CG2' ' A' ' 71' ' ' ILE . 8.0 pt -83.42 14.94 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -58.8 96.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.01 -10.28 31.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 4.1 m-85 -62.0 132.68 53.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.82 151.99 32.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 88' ' ' VAL . 5.2 m120 -38.65 -50.78 1.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 86' ' ' ASP . 12.9 p-80 -69.8 -45.14 68.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.655 ' O ' HG23 ' A' ' 90' ' ' VAL . 32.1 m-20 -50.94 -31.14 16.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.5 t -80.35 -38.43 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 84' ' ' ASN . 75.6 t -54.27 -55.46 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 5.9 pt-20 -53.6 -34.91 60.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 86' ' ' ASP . 59.0 t -61.59 -44.39 98.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.599 HD23 HG11 ' A' ' 74' ' ' VAL . 18.1 mt -60.95 -43.0 99.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -63.18 -40.13 96.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -62.38 -37.69 86.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.12 147.53 24.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.39 -153.92 30.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -52.23 -58.98 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.613 HG13 ' HG3' ' A' ' 20' ' ' GLU . 85.7 t -73.7 102.02 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 55.0 t -108.02 108.01 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -92.13 99.51 12.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.615 HD12 ' CD1' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -90.22 115.57 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.0 m -91.44 114.25 26.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.615 ' CD1' HD12 ' A' ' 100' ' ' LEU . 2.1 mp -122.77 156.95 33.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 2.9 p -119.64 116.95 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -98.84 160.94 13.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -91.89 117.1 29.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.2 mttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.655 HD22 ' N ' ' A' ' 13' ' ' LEU . 1.4 mm? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.467 ' HB3' HG22 ' A' ' 103' ' ' VAL . 12.0 m-85 -106.14 172.85 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -136.2 126.63 26.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -96.16 136.66 36.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 102' ' ' LEU . 27.0 p90 -139.49 143.32 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -96.01 131.15 42.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.513 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.5 t -118.75 115.1 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.512 ' HG3' HG13 ' A' ' 97' ' ' VAL . 11.3 tt0 -90.92 98.07 11.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.923 HD11 ' CD1' ' A' ' 65' ' ' ILE . 59.1 mt -88.28 140.43 29.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.4 p -105.64 145.19 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -111.9 100.87 9.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -47.86 175.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -56.88 95.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.48 39.93 29.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.455 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -111.47 145.59 38.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.5 m -92.88 -179.23 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.559 ' CD2' HD22 ' A' ' 91' ' ' LEU . 10.0 tp -74.57 -69.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.11 47.1 3.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.7 mt -128.31 118.81 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.115 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.442 ' HG2' HD11 ' A' ' 54' ' ' ILE . 12.9 mmm180 -90.95 126.98 36.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.3 pt -110.71 169.95 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -151.9 140.75 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.0 99.52 1.54 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.924 0.392 . . . . 0.0 110.885 -179.78 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.927 0.394 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.86 -172.82 21.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.7 mm -94.51 124.76 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.533 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 96.7 m-85 -129.67 147.58 51.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.1 t -70.87 94.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -58.47 -42.46 87.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 m -161.28 172.75 16.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 66' ' ' GLN . 97.2 t -130.08 105.73 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.461 ' H ' HD12 ' A' ' 54' ' ' ILE . 3.6 mp -57.55 130.22 81.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.613 0.72 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 160.05 51.18 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.332 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.14 27.84 60.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 p -121.87 162.21 21.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -43.72 -55.66 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.31 -53.49 17.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -59.71 -46.08 90.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -50.35 -60.32 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.874 HD22 HD23 ' A' ' 21' ' ' LEU . 11.6 t-20 -59.14 -34.33 71.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.03 34.16 88.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.513 ' HB2' HG11 ' A' ' 19' ' ' VAL . 11.7 m-70 -111.01 -39.25 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.318 . . . . 0.0 110.803 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.923 ' CD1' HD11 ' A' ' 21' ' ' LEU . 17.1 mt -93.26 107.34 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.432 ' HA ' HG21 ' A' ' 53' ' ' VAL . 14.4 mp0 -126.7 170.37 12.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.4 m -55.27 174.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 61.11 34.61 18.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -128.13 146.49 50.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.533 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 2.4 ttpt -107.45 115.2 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.575 HG23 HD11 ' A' ' 100' ' ' LEU . 18.7 mt -82.88 124.11 39.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.9 m -108.98 -24.9 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' A' ' 101' ' ' THR . . . -154.46 144.22 21.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.613 HG11 HD23 ' A' ' 91' ' ' LEU . 61.5 t -127.5 118.71 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 t70 61.25 33.97 18.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.32 23.24 63.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.442 ' O ' HG23 ' A' ' 79' ' ' ILE . 73.0 t -120.3 113.91 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.843 0.354 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -62.26 88.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.557 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.6 pt -84.34 17.04 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -58.16 96.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.41 -18.23 20.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 5.8 m-85 -51.9 129.8 27.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -65.64 154.68 38.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 83' ' ' ALA . 13.1 t-20 -34.57 -69.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -56.58 -38.36 71.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -57.02 -29.16 63.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.0 t -84.53 -37.61 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.491 ' HA ' HD12 ' A' ' 91' ' ' LEU . 90.9 t -56.88 -51.95 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -53.71 -41.8 67.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.73 -43.23 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.613 HD23 HG11 ' A' ' 74' ' ' VAL . 14.5 mt -63.34 -47.98 79.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -58.24 -43.36 87.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -61.18 -39.51 90.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.629 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -46.25 149.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.14 -148.64 22.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -59.31 -58.12 10.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.512 HG13 ' HG3' ' A' ' 20' ' ' GLU . 90.4 t -78.13 98.68 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.629 HG22 ' HB1' ' A' ' 94' ' ' ALA . 98.8 t -109.22 102.47 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.409 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 11.8 m80 -89.04 102.59 15.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.575 HD11 HG23 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -88.55 135.38 33.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.546 ' HB ' ' HB3' ' A' ' 73' ' ' ALA . 26.5 m -109.76 106.22 15.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.579 HD21 HG23 ' A' ' 65' ' ' ILE . 0.7 OUTLIER -117.43 158.49 24.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.467 HG22 ' HB3' ' A' ' 14' ' ' PHE . 2.6 p -141.54 109.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -107.34 152.66 23.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.7 ttt85 -65.37 125.3 24.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 13.4 mttm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.7 mm? . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.884 0.373 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.462 ' CD2' ' HA ' ' A' ' 105' ' ' ARG . 5.3 m-85 -107.51 169.27 8.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -131.95 134.83 46.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.2 m -95.9 147.41 23.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 104' ' ' ARG . 40.9 p90 -153.28 149.8 28.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.36 130.33 47.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.711 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.3 t -112.94 118.01 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.814 ' HG3' HG13 ' A' ' 97' ' ' VAL . 14.7 tt0 -94.82 93.44 7.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.723 HD21 HD12 ' A' ' 65' ' ' ILE . 52.9 mt -73.66 170.05 16.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 p -132.79 134.62 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -113.15 106.65 14.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -51.8 -175.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -81.62 46.49 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 152.84 34.82 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.533 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.429 ' HG2' ' N ' ' A' ' 28' ' ' SER . 17.6 tt0 -130.75 155.5 46.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.429 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 1.8 t -110.28 178.97 4.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.496 ' HG ' HD12 ' A' ' 31' ' ' ILE . 9.6 tp -67.96 -53.95 22.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.73 50.42 24.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.62 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 78.6 mt -134.92 102.74 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.136 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.1 mmm-85 -78.67 137.58 37.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.0 pt -111.49 168.89 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 p -146.11 144.79 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.63 110.26 3.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.94 0.4 . . . . 0.0 110.896 -179.756 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 CA--C 1.526 0.036 0 CA-C-O 120.94 0.4 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 136.0 -154.91 22.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.3 mm -112.33 129.79 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.563 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 13.7 m-85 -133.89 154.87 50.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.51 117.62 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -80.53 -47.65 13.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.0 p -149.15 168.77 22.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.804 HG21 ' HA ' ' A' ' 66' ' ' GLN . 88.7 t -134.69 78.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.812 ' H ' HD12 ' A' ' 54' ' ' ILE . 5.1 mp -37.48 130.15 0.85 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.742 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 163.96 36.33 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.366 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.94 22.29 59.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 p -116.94 166.46 12.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.83 -43.39 59.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.62 ' HB2' ' CG1' ' A' ' 31' ' ' ILE . . . -60.16 -57.07 14.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -56.77 -44.12 81.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -63.38 -45.71 89.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.422 ' ND2' HD23 ' A' ' 21' ' ' LEU . 13.3 t30 -57.92 -57.72 11.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.87 26.56 37.34 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.711 ' HB2' HG11 ' A' ' 19' ' ' VAL . 74.7 m-70 -119.89 -26.86 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.754 0.312 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.723 HD12 HD21 ' A' ' 21' ' ' LEU . 16.4 mt -114.56 100.24 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.804 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -129.43 176.43 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.467 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 30.7 m -50.54 178.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.467 ' CG ' ' O ' ' A' ' 67' ' ' VAL . 18.9 p30 49.06 35.16 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -124.06 139.75 53.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.563 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.0 ttpt -103.42 136.08 43.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.541 HG12 HD11 ' A' ' 100' ' ' LEU . 20.8 mt -106.8 139.72 27.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.45 ' CG2' HG22 ' A' ' 101' ' ' THR . 3.4 m -120.67 -20.52 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.51 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -160.76 148.26 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.89 HG11 HD23 ' A' ' 91' ' ' LEU . 55.7 t -130.93 123.81 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 t0 59.81 29.68 19.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.24 22.03 61.53 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.507 ' O ' HG23 ' A' ' 79' ' ' ILE . 69.5 t -119.77 115.33 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.373 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -59.93 96.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.537 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 5.9 pt -91.78 17.65 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -59.73 93.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.89 -17.46 15.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.537 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 5.0 m-85 -50.92 131.62 26.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.654 ' HB3' ' OD2' ' A' ' 86' ' ' ASP . . . -65.74 157.29 30.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.439 ' O ' HG23 ' A' ' 88' ' ' VAL . 26.0 t-20 -36.83 -65.38 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -59.17 -43.97 92.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.654 ' OD2' ' HB3' ' A' ' 83' ' ' ALA . 49.5 m-20 -50.36 -32.18 16.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.2 t -84.32 -42.46 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 84' ' ' ASN . 94.6 t -54.65 -43.47 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 10.4 pt-20 -63.75 -35.48 80.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 86' ' ' ASP . 95.3 t -63.1 -43.63 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.89 HD23 HG11 ' A' ' 74' ' ' VAL . 44.3 mt -63.64 -44.17 94.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.964 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.7 mtp-105 -60.69 -39.66 89.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -63.35 -40.1 96.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.543 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -50.38 160.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.092 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 98' ' ' VAL . . . -114.45 -158.7 12.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -43.39 -53.92 5.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.814 HG13 ' HG3' ' A' ' 20' ' ' GLU . 86.6 t -84.9 103.47 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.543 HG22 ' HB1' ' A' ' 94' ' ' ALA . 98.1 t -111.46 104.37 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 9.5 m80 -86.59 95.68 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.671 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -84.74 130.26 34.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.51 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . 10.6 m -104.98 111.62 24.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.671 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -128.05 161.05 30.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.433 HG22 ' HB3' ' A' ' 14' ' ' PHE . 2.8 p -134.15 110.75 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.46 ' HD3' ' CE1' ' A' ' 17' ' ' TYR . 9.9 ptt180 -104.49 147.83 27.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.486 ' HD2' ' N ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -62.54 138.37 58.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.486 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 29.6 mttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CD2' ' HA ' ' A' ' 105' ' ' ARG . 5.8 m-85 -114.52 169.33 9.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -130.03 137.98 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 m -101.59 141.49 34.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -145.16 147.52 32.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -99.95 140.91 33.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.0 t -123.63 118.0 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.527 ' HG2' HG13 ' A' ' 97' ' ' VAL . 3.4 tm-20 -92.21 100.69 13.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.736 HD11 ' CD1' ' A' ' 65' ' ' ILE . 47.7 mt -90.48 147.93 23.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -109.6 134.43 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -103.16 106.29 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -53.13 178.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -67.93 74.41 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.75 44.62 1.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -124.52 140.62 52.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 29' ' ' LEU . 1.1 t -95.25 146.09 24.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.522 HD11 HD12 ' A' ' 21' ' ' LEU . 11.8 tp -36.51 -54.14 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.73 47.68 7.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.478 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.538 HD11 ' HB2' ' A' ' 59' ' ' ALA . 70.4 mt -135.2 113.37 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 111.087 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HG2' HD11 ' A' ' 54' ' ' ILE . 18.8 mmm-85 -82.08 135.34 35.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.8 pt -110.89 169.95 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 p -148.34 157.14 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.92 132.91 11.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 110.931 -179.813 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.2 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.888 0.375 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.87 -146.59 17.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.442 HG13 HG21 ' A' ' 87' ' ' VAL . 25.0 mm -109.31 124.12 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.887 0.375 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.585 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 43.6 m-85 -124.84 168.24 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.0 t -87.79 98.65 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -46.41 81.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.8 m -159.31 169.36 24.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.503 HG21 ' HA ' ' A' ' 66' ' ' GLN . 83.3 t -127.37 109.92 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.1 mp -63.46 124.57 84.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.624 0.726 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 147.18 62.64 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.719 2.279 . . . . 0.0 112.38 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.3 14.65 81.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.1 p -110.69 176.09 5.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.73 -42.61 79.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.538 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -62.78 -55.84 22.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -62.27 -33.58 74.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -68.29 -36.64 79.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.432 ' ND2' ' CG1' ' A' ' 19' ' ' VAL . 36.5 t30 -68.03 -68.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.31 18.16 12.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.541 ' HB2' HG11 ' A' ' 19' ' ' VAL . 10.6 m170 -110.23 -39.67 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.736 ' CD1' HD11 ' A' ' 21' ' ' LEU . 33.1 mt -94.2 117.44 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.503 ' HA ' HG21 ' A' ' 53' ' ' VAL . 7.5 mp0 -138.34 173.88 11.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.31 168.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 63.94 30.06 14.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -120.52 138.49 53.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.585 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -100.79 123.08 44.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 75.1 mt -88.57 140.32 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.443 HG12 ' CD ' ' A' ' 80' ' ' GLN . 2.0 m -120.2 -33.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.54 150.14 32.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.5 HG11 HD23 ' A' ' 91' ' ' LEU . 42.7 t -134.68 110.25 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 t70 67.84 29.4 6.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.31 0.47 84.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.2 t -97.41 113.94 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -66.28 101.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 81' ' ' GLY . 6.1 pt -95.69 13.38 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.443 ' CD ' HG12 ' A' ' 72' ' ' VAL . 13.4 mm100 -60.18 76.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 128.89 15.76 2.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -88.99 146.68 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -76.91 146.66 37.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.668 ' O ' HG23 ' A' ' 88' ' ' VAL . 8.1 m120 -35.25 -47.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.403 ' NE2' ' HB3' ' A' ' 83' ' ' ALA . 7.0 p-80 -69.15 -44.17 72.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.651 ' O ' HG23 ' A' ' 90' ' ' VAL . 27.9 m-20 -58.32 -26.83 63.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.442 HG21 HG13 ' A' ' 48' ' ' ILE . 86.4 t -84.07 -32.7 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 84' ' ' ASN . 83.8 t -60.89 -47.89 91.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -61.4 -33.51 73.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 86' ' ' ASP . 74.9 t -62.28 -44.97 99.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.5 HD23 HG11 ' A' ' 74' ' ' VAL . 12.5 mt -63.6 -44.38 94.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -62.94 -42.48 99.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -63.3 -31.11 72.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.415 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -59.24 145.55 42.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.05 -157.29 33.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.539 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -52.88 -61.53 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.925 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.527 HG13 ' HG2' ' A' ' 20' ' ' GLU . 89.6 t -73.01 99.18 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.415 HG22 ' HB1' ' A' ' 94' ' ' ALA . 98.6 t -107.05 113.82 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.421 ' NE2' ' HB2' ' A' ' 20' ' ' GLU . 6.6 m80 -96.82 96.79 8.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.32 126.4 33.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.8 m -100.79 115.67 30.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.658 HD12 ' N ' ' A' ' 102' ' ' LEU . 0.8 OUTLIER -125.73 155.4 41.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.8 p -127.7 112.78 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -107.46 143.8 35.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.529 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 2.1 tmt_? -66.27 137.55 57.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.893 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.8 mm? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.83 0.348 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.546 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 4.3 m-85 -107.11 174.88 5.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -128.17 117.97 22.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.1 m -93.39 135.08 34.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -146.39 151.51 37.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.48 129.79 53.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.419 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.1 t -110.07 113.84 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.637 ' HG3' HG13 ' A' ' 97' ' ' VAL . 9.8 tt0 -90.78 92.26 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.675 HD11 ' CD1' ' A' ' 65' ' ' ILE . 66.7 mt -81.21 151.81 27.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -114.8 133.2 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.6 mtm180 -100.76 102.05 13.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 26' ' ' GLY . 32.9 mttm -59.56 170.9 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 25' ' ' ASP . 14.3 p-10 -51.51 86.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 105.36 -35.79 4.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -51.99 129.49 27.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.5 p -96.09 171.21 8.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' HG ' HD12 ' A' ' 31' ' ' ILE . 11.1 tp -53.42 -54.64 34.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.451 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 74.68 50.05 9.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.509 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 77.3 mt -134.86 120.54 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 111.138 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.4 mmt-85 -94.95 128.52 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.444 HD13 ' CG1' ' A' ' 87' ' ' VAL . 6.6 pt -108.35 170.02 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 p -147.95 148.54 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.8 106.6 2.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 120.94 0.4 . . . . 0.0 110.924 -179.816 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.889 0.376 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.2 -174.84 31.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.7 mm -85.97 137.95 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.542 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 61.4 m-85 -143.9 149.02 36.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 65.1 t -73.55 99.42 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -61.37 -41.84 97.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -161.96 176.33 10.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.3 t -142.1 111.33 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.6 mp -59.73 137.19 90.01 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.75 162.81 40.62 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.67 2.247 . . . . 0.0 112.356 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 52.23 20.36 6.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.0 p -104.91 165.41 11.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.809 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.41 -49.29 35.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.509 ' HB2' ' CG1' ' A' ' 31' ' ' ILE . . . -58.43 -55.98 28.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -53.16 -61.79 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -45.43 -54.24 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.418 ' ND2' HD23 ' A' ' 21' ' ' LEU . 26.5 t30 -45.7 -61.12 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.73 19.93 49.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.419 ' HB2' HG11 ' A' ' 19' ' ' VAL . 70.6 m-70 -108.39 -36.17 6.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.748 0.308 . . . . 0.0 110.832 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.675 ' CD1' HD11 ' A' ' 21' ' ' LEU . 21.9 mt -99.15 117.79 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -128.53 169.51 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.1 m -65.51 176.14 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 60.61 32.04 20.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -120.13 161.72 20.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.542 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -120.29 122.26 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.548 HG12 HD11 ' A' ' 100' ' ' LEU . 22.3 mt -90.96 134.99 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.36 -24.47 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.407 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -154.88 140.66 18.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.722 HG11 HD23 ' A' ' 91' ' ' LEU . 89.7 t -122.37 123.02 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t0 59.81 29.34 18.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.16 19.47 62.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.539 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 79' ' ' ILE . 82.2 t -118.32 116.29 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -60.83 94.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.543 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 7.0 pt -89.43 14.31 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -56.43 92.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.54 -22.58 10.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 4.5 m-85 -47.44 130.16 13.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -63.04 152.75 36.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 83' ' ' ALA . 10.6 t-20 -34.5 -66.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.431 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 51.7 p-80 -57.28 -47.99 80.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 23.5 m-20 -47.49 -27.46 1.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.444 ' CG1' HD13 ' A' ' 33' ' ' ILE . 71.0 t -86.52 -32.15 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.29 -50.38 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.36 -38.35 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.12 -48.62 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.722 HD23 HG11 ' A' ' 74' ' ' VAL . 18.1 mt -58.6 -42.05 87.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 71.0 mtp85 -63.43 -38.44 91.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -64.56 -38.61 91.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.33 145.69 31.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.67 -159.13 28.73 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -41.48 -53.85 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.637 HG13 ' HG3' ' A' ' 20' ' ' GLU . 85.1 t -79.35 107.14 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.443 HG21 HD13 ' A' ' 29' ' ' LEU . 71.9 t -114.71 101.65 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.493 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 9.1 m80 -86.16 94.64 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.59 HD12 HD11 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -85.72 119.15 25.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.407 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . 17.3 m -94.78 114.55 26.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.59 HD11 HD12 ' A' ' 100' ' ' LEU . 4.2 mp -119.06 168.24 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.3 p -151.51 111.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -111.08 147.25 35.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.546 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 2.5 ttm-85 -65.64 124.17 21.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.435 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 11.4 mttm . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.45 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 21.1 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.8 0.333 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -105.96 150.18 25.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -121.16 144.18 48.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.4 m -105.52 150.02 25.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -149.54 153.42 37.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -99.29 131.35 45.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.609 ' HB ' HD11 ' A' ' 65' ' ' ILE . 1.0 OUTLIER -115.6 112.29 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.705 ' HG3' HG13 ' A' ' 97' ' ' VAL . 13.5 tt0 -92.47 89.96 6.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.659 HD11 HD12 ' A' ' 65' ' ' ILE . 39.1 mt -80.54 142.59 34.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 p -106.38 134.88 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -112.49 112.0 23.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -52.77 -178.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.3 85.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.73 38.37 3.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.47 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -119.04 129.47 55.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.918 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.7 m -77.76 154.88 31.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.741 HD21 HD12 ' A' ' 31' ' ' ILE . 17.3 tp -47.51 -66.87 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.465 ' HA3' ' CB ' ' A' ' 57' ' ' SER . . . 93.96 50.57 2.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.741 HD12 HD21 ' A' ' 29' ' ' LEU . 76.5 mt -137.3 105.46 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 111.159 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.593 ' HG2' HD11 ' A' ' 54' ' ' ILE . 2.4 mmp_? -77.42 134.07 38.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.564 HD13 ' CG1' ' A' ' 87' ' ' VAL . 13.9 pt -117.35 166.14 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.5 p -143.33 150.44 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.63 100.33 1.78 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.96 0.41 . . . . 0.0 110.935 -179.819 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.926 0.393 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.31 -177.05 30.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.8 mm -89.94 127.26 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.547 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 84.9 m-85 -126.45 158.1 36.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.652 HG23 HD11 ' A' ' 71' ' ' ILE . 75.7 t -78.19 98.38 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.161 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -61.9 -38.06 86.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -162.26 173.25 14.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 66' ' ' GLN . 92.5 t -133.46 89.01 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.765 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.2 mp -44.81 129.28 5.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.617 0.723 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 163.45 38.25 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.12 22.12 41.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.465 ' CB ' ' HA3' ' A' ' 30' ' ' GLY . 8.0 p -112.51 162.36 15.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.829 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.67 -39.98 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.512 ' HA ' HD22 ' A' ' 21' ' ' LEU . . . -64.79 -56.9 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -56.19 -48.96 75.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -48.4 -55.98 9.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.448 ' ND2' HG12 ' A' ' 19' ' ' VAL . 24.9 t30 -50.59 -63.46 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.55 22.47 21.46 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.401 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 16.0 m170 -110.51 -38.71 5.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.7 0.286 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.659 HD12 HD11 ' A' ' 21' ' ' LEU . 37.7 mt -95.4 121.89 46.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.698 ' HA ' HG21 ' A' ' 53' ' ' VAL . 9.0 mp0 -142.07 178.87 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.1 m -63.48 169.21 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 68.44 30.76 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.77 158.67 34.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.547 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 1.4 ttpp -118.53 113.27 21.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.652 HD11 HG23 ' A' ' 50' ' ' VAL . 5.4 mp -83.19 119.82 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 101' ' ' THR . 3.7 m -100.94 -24.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.544 ' HB3' ' OG1' ' A' ' 101' ' ' THR . . . -153.82 137.25 15.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.026 HG11 HD23 ' A' ' 91' ' ' LEU . 64.0 t -119.21 121.71 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 99' ' ' HIS . 7.5 t70 59.37 31.58 21.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.99 17.64 69.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.4 t -113.19 112.7 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -64.02 96.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' GLY . 8.2 pt -88.93 13.04 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -62.69 77.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 140.31 -3.76 2.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.519 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -77.12 -174.81 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.364 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.632 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -122.0 171.09 9.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.59 ' O ' HG23 ' A' ' 88' ' ' VAL . 22.9 t-20 -47.69 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -56.15 -45.74 79.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.522 ' O ' HG23 ' A' ' 90' ' ' VAL . 2.8 m-20 -57.78 -31.21 66.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 83' ' ' ALA . 55.9 t -81.76 -32.97 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 84' ' ' ASN . 91.3 t -62.07 -46.6 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 4.7 pt-20 -61.52 -31.98 72.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 86' ' ' ASP . 73.0 t -63.84 -41.66 93.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.026 HD23 HG11 ' A' ' 74' ' ' VAL . 11.0 mt -66.41 -45.54 79.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.7 mtt-85 -59.94 -44.04 94.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -59.79 -35.2 74.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.49 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -56.25 145.03 27.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.99 -158.91 33.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -48.15 -62.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.705 HG13 ' HG3' ' A' ' 20' ' ' GLU . 97.6 t -72.66 99.22 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.49 HG22 ' HB1' ' A' ' 94' ' ' ALA . 85.8 t -107.68 103.55 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' ASP . 8.5 m80 -89.76 107.9 19.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.577 HD11 ' CG2' ' A' ' 71' ' ' ILE . 20.4 tp -93.04 156.34 16.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.544 ' OG1' ' HB3' ' A' ' 73' ' ' ALA . 2.9 m -127.95 98.8 5.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -117.72 148.28 42.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.6 p -128.05 108.71 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -108.42 167.58 9.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -71.54 120.34 16.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.45 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 9.2 mttm . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.0 mm? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.827 0.346 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 2.1 m-85 -104.96 173.59 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.403 ' HB3' ' CE ' ' A' ' 106' ' ' LYS . 2.9 pp20? -135.97 123.59 22.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 m -86.21 143.87 27.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -152.16 146.27 25.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.45 132.26 37.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.614 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.2 t -113.02 109.42 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.476 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 16.5 tt0 -84.26 107.62 16.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.852 HD11 ' CD1' ' A' ' 65' ' ' ILE . 41.2 mt -97.87 143.83 28.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.1 p -105.74 135.24 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -106.27 107.69 18.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -50.42 177.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -70.4 81.96 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.13 41.01 2.51 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -124.11 155.27 38.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.879 0.371 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.2 m -106.85 177.69 4.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.1 tp -66.44 -69.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.11 32.9 8.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.443 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.536 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 75.7 mt -117.84 112.43 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.349 . . . . 0.0 111.098 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -80.93 133.25 35.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.0 pt -113.49 165.39 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.176 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -147.64 143.67 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.6 82.38 0.55 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.943 0.401 . . . . 0.0 110.918 -179.79 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.895 0.379 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.27 -175.63 22.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.471 HG22 HD13 ' A' ' 71' ' ' ILE . 35.5 mm -85.85 127.93 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 72.5 m-85 -133.54 157.86 44.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.8 t -79.73 102.92 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -67.81 -39.75 83.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.9 m -161.41 168.54 23.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' A' ' 66' ' ' GLN . 72.7 t -132.18 93.91 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.5 mp -43.01 131.32 3.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 160.05 51.16 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.666 2.244 . . . . 0.0 112.384 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.83 28.19 52.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.3 p -115.21 170.39 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.826 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.82 -47.51 73.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.536 ' HB2' ' CG1' ' A' ' 31' ' ' ILE . . . -58.33 -54.24 49.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -57.62 -45.3 85.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -52.83 -58.52 6.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.469 ' ND2' HG12 ' A' ' 19' ' ' VAL . 21.8 t30 -46.89 -59.8 2.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.32 27.77 12.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.614 ' HB2' HG11 ' A' ' 19' ' ' VAL . 13.2 m-70 -118.37 -39.49 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.852 ' CD1' HD11 ' A' ' 21' ' ' LEU . 18.5 mt -91.91 115.09 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.554 ' HA ' HG21 ' A' ' 53' ' ' VAL . 5.8 mp0 -140.93 174.97 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.408 HG23 ' ND2' ' A' ' 68' ' ' ASN . 31.9 m -59.21 165.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.408 ' ND2' HG23 ' A' ' 67' ' ' VAL . 1.6 m-20 67.52 30.85 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -121.74 155.03 36.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 7.9 ttpt -118.39 122.25 42.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.529 ' CG2' HD11 ' A' ' 79' ' ' ILE . 4.9 mp -87.63 132.09 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.599 ' CG2' HG22 ' A' ' 101' ' ' THR . 4.0 m -111.67 -25.71 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -163.8 138.62 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.545 HG11 HD23 ' A' ' 91' ' ' LEU . 83.8 t -111.34 121.7 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.471 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 1.3 p30 53.59 25.23 4.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.56 -20.48 41.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.38 119.13 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.342 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -71.97 94.94 1.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.529 HD11 ' CG2' ' A' ' 71' ' ' ILE . 6.5 pt -88.43 13.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -55.13 91.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.42 -24.59 11.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.5 m-85 -41.85 141.98 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -73.95 156.2 37.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.481 ' O ' HG23 ' A' ' 88' ' ' VAL . 12.0 t-20 -36.49 -58.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -65.21 -44.15 89.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.689 ' O ' HG23 ' A' ' 90' ' ' VAL . 8.0 t0 -51.54 -28.37 13.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.2 t -86.57 -38.79 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 84' ' ' ASN . 90.5 t -57.24 -45.56 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -62.78 -38.71 91.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 86' ' ' ASP . 98.7 t -59.59 -42.4 88.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.545 HD23 HG11 ' A' ' 74' ' ' VAL . 35.4 mt -62.36 -46.46 88.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -57.9 -40.96 81.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -62.08 -40.83 97.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.677 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -52.32 148.99 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 98' ' ' VAL . . . -109.75 -152.63 14.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -47.5 -62.01 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.361 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.1 t -75.25 104.2 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.677 HG22 ' HB1' ' A' ' 94' ' ' ALA . 85.8 t -120.57 105.72 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.476 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 18.6 m80 -92.73 97.49 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -82.8 110.42 17.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.599 HG22 ' CG2' ' A' ' 72' ' ' VAL . 18.3 m -81.55 103.56 11.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.79 HD11 HG12 ' A' ' 65' ' ' ILE . 0.6 OUTLIER -120.48 158.0 28.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.48 HG22 ' HB3' ' A' ' 14' ' ' PHE . 3.1 p -136.11 113.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 1.7 ptm85 -105.87 154.83 20.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.581 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 2.3 ttm180 -70.37 118.77 13.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.403 ' CE ' ' HB3' ' A' ' 15' ' ' GLU . 19.5 mttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.433 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 8.1 mp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.571 ' HB3' HG22 ' A' ' 103' ' ' VAL . 11.9 m-85 -105.83 159.27 16.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -122.05 129.21 52.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.6 m -95.57 141.51 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -150.56 150.07 30.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.88 135.71 46.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.584 HG11 ' HB2' ' A' ' 64' ' ' HIS . 1.8 t -118.3 113.86 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.89 ' HG3' HG13 ' A' ' 97' ' ' VAL . 16.0 tt0 -84.63 91.51 7.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.994 HD11 HD12 ' A' ' 65' ' ' ILE . 84.4 mt -79.33 139.83 37.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 p -105.26 142.57 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.183 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -107.42 106.22 16.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -49.0 178.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -64.98 90.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.92 45.95 5.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.532 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.444 ' HG2' ' N ' ' A' ' 28' ' ' SER . 39.4 tt0 -123.46 151.7 42.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 110.917 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.444 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 74.5 m -99.49 158.15 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 29' ' ' LEU . 11.4 tp -50.66 -68.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.945 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.567 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 91.74 49.18 3.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.474 HD11 ' CD1' ' A' ' 21' ' ' LEU . 67.1 mt -135.25 114.61 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -90.34 135.57 33.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.1 pt -112.03 163.73 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 p -147.55 140.97 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.594 ' N ' HD21 ' A' ' 84' ' ' ASN . . . -91.66 103.06 3.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.934 0.397 . . . . 0.0 110.891 -179.788 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.4 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.931 0.396 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.94 -169.5 24.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.432 HG22 HD13 ' A' ' 71' ' ' ILE . 15.2 mm -96.24 126.92 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 111.153 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CE1' ' HG2' ' A' ' 70' ' ' LYS . 9.8 m-85 -128.25 156.03 43.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.0 t -74.57 111.37 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -74.07 -40.74 62.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 m -164.41 170.12 16.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.13 104.55 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.719 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.6 mp -52.31 129.88 42.31 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.64 0.733 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 155.51 65.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 59.56 29.87 67.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 p -115.88 179.46 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.51 64.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.81 -44.14 81.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -65.25 -50.41 65.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -50.79 -50.53 55.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -51.69 -61.65 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.55 26.46 17.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.584 ' HB2' HG11 ' A' ' 19' ' ' VAL . 12.5 m170 -114.85 -34.69 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.994 HD12 HD11 ' A' ' 21' ' ' LEU . 45.9 mt -98.22 122.2 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.543 ' NE2' ' C ' ' A' ' 64' ' ' HIS . 7.1 mp0 -138.22 173.81 11.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.16 172.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 62.2 41.35 10.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -130.55 163.79 26.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -124.46 123.45 40.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.475 ' CG2' HD11 ' A' ' 79' ' ' ILE . 5.1 mp -87.8 132.76 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 m -116.2 -24.32 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.49 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -154.85 145.49 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.8 t -129.88 119.19 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' OD2' HG13 ' A' ' 98' ' ' VAL . 1.9 m-20 60.34 30.44 19.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.06 20.12 59.81 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.437 ' O ' HG23 ' A' ' 79' ' ' ILE . 84.2 t -119.27 112.76 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -62.16 90.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.475 HD11 ' CG2' ' A' ' 71' ' ' ILE . 7.5 pt -84.36 13.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -55.43 96.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.32 -21.99 14.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.7 m-85 -48.72 132.25 17.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.864 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -62.72 150.09 42.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.104 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.594 HD21 ' N ' ' A' ' 35' ' ' GLY . 6.0 m120 -38.05 -55.11 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -66.19 -40.27 90.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -56.49 -33.76 66.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.5 t -77.49 -37.2 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.5 t -53.5 -50.49 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 90' ' ' VAL . 5.9 pt-20 -55.08 -43.85 74.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.428 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 89.8 t -57.64 -34.35 47.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.2 mt -71.99 -44.27 63.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.454 ' HG2' ' N ' ' A' ' 93' ' ' ASN . 11.4 ptt180 -66.89 -43.64 82.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.454 ' N ' ' HG2' ' A' ' 92' ' ' ARG . 24.8 m-80 -66.7 -21.11 66.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.47 148.52 48.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.11 -160.75 29.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -50.89 -63.07 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.89 HG13 ' HG3' ' A' ' 20' ' ' GLU . 98.4 t -70.92 97.49 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.413 HG13 ' OD2' ' A' ' 75' ' ' ASP . 94.2 t -107.81 105.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 17.5 m80 -87.63 94.71 9.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.694 HD12 HD11 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -83.6 118.21 23.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.49 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . 5.2 m -94.24 118.34 31.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.694 HD11 HD12 ' A' ' 100' ' ' LEU . 1.4 mp -127.05 153.42 45.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 14' ' ' PHE . 2.7 p -129.97 106.69 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.099 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -100.02 155.83 17.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -74.4 127.53 33.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.433 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 29.5 mttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 13' ' ' LEU . 7.7 mp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.882 0.373 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.66 ' HB3' HG22 ' A' ' 103' ' ' VAL . 15.6 m-85 -98.85 165.49 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -136.21 130.36 33.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.4 m -95.58 149.0 21.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -150.24 145.12 26.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -97.01 132.73 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.413 ' CG1' ' ND2' ' A' ' 62' ' ' ASN . 2.5 t -119.91 117.27 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.712 ' HG3' HG13 ' A' ' 97' ' ' VAL . 12.2 tt0 -98.31 93.36 6.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.75 HD11 ' CD1' ' A' ' 65' ' ' ILE . 21.7 mt -79.64 162.75 25.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 p -121.65 142.91 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -115.28 102.43 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 26' ' ' GLY . 23.6 mmmt -56.53 171.03 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -58.98 84.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 115.28 -40.39 2.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -45.33 160.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.1 m -125.61 177.45 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.55 ' CD2' HD22 ' A' ' 91' ' ' LEU . 10.0 tp -62.54 -69.34 0.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.79 53.46 3.99 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.491 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 79.3 mt -134.0 94.02 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 111.152 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.736 ' HG2' HD11 ' A' ' 54' ' ' ILE . 11.3 mmm180 -65.82 128.11 34.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.1 pt -106.38 157.3 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 49' ' ' TYR . 8.1 p -128.34 146.55 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.69 122.97 7.76 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.951 0.405 . . . . 0.0 110.913 -179.787 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.43 -162.79 28.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.0 mm -96.92 118.92 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 41.8 m-85 -122.13 162.13 21.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.7 t -79.81 114.13 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -43.25 48.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.1 177.3 11.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' A' ' 66' ' ' GLN . 88.6 t -134.15 92.83 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.134 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.8 ' H ' HD12 ' A' ' 54' ' ' ILE . 3.9 mp -48.1 134.76 11.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.549 0.69 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.506 ' HD2' HG23 ' A' ' 54' ' ' ILE . 54.5 Cg_endo -69.68 159.58 52.93 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.715 2.277 . . . . 0.0 112.341 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.23 30.44 64.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.2 p -117.86 170.26 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.85 -45.54 86.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.491 ' HB2' ' CG1' ' A' ' 31' ' ' ILE . . . -59.44 -49.83 76.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -57.89 -38.06 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -71.59 -49.59 38.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.465 ' ND2' HD23 ' A' ' 21' ' ' LEU . 22.1 t30 -51.5 -59.96 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.03 28.05 26.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -121.98 -27.82 4.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.75 ' CD1' HD11 ' A' ' 21' ' ' LEU . 11.5 mt -111.33 120.49 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.462 ' HA ' ' CG2' ' A' ' 53' ' ' VAL . 0.4 OUTLIER -157.02 170.33 22.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.3 m -40.13 161.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 65.18 39.71 5.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -140.77 130.26 23.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 4.3 ttpp -96.44 131.06 43.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.761 HG23 HD11 ' A' ' 100' ' ' LEU . 5.2 mp -104.65 124.04 59.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.0 m -100.17 -26.25 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HB3' ' HB ' ' A' ' 101' ' ' THR . . . -150.66 148.24 28.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.692 HG11 HD23 ' A' ' 91' ' ' LEU . 61.1 t -131.3 119.88 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.8 t70 59.45 36.71 23.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.91 23.04 70.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.3 t -120.21 119.72 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.091 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -67.39 97.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.419 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 6.5 pt -97.96 18.73 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -44.47 -71.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -91.95 42.18 2.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CG ' ' HA ' ' A' ' 79' ' ' ILE . 3.1 m-85 -99.19 145.49 27.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -83.7 151.06 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.063 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' ALA . 5.4 t-20 -34.37 -63.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -54.86 -46.82 74.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.597 ' O ' HG23 ' A' ' 90' ' ' VAL . 65.8 m-20 -53.63 -34.17 57.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.2 t -77.75 -35.31 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.6 t -57.79 -54.26 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 14.4 pt-20 -55.34 -41.03 71.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 86' ' ' ASP . 72.5 t -53.69 -41.8 48.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.692 HD23 HG11 ' A' ' 74' ' ' VAL . 17.9 mt -65.63 -46.17 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -58.42 -43.27 88.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -61.43 -40.37 94.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.09 154.61 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.07 -153.51 12.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -50.17 -61.0 2.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.37 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.712 HG13 ' HG3' ' A' ' 20' ' ' GLU . 94.1 t -75.31 102.41 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.2 t -110.51 107.33 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 8.3 m80 -92.74 104.12 16.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.761 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -93.96 136.7 33.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.577 ' N ' HD13 ' A' ' 100' ' ' LEU . 10.7 m -111.22 104.2 12.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.688 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -118.61 161.53 19.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.66 HG22 ' HB3' ' A' ' 14' ' ' PHE . 3.7 p -138.71 116.46 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -104.82 152.04 23.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -74.51 123.11 24.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.43 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 24.1 mttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.903 0.383 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 33.7 m-85 -101.21 147.47 26.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -122.7 147.01 46.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.4 m -109.22 144.69 36.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -144.18 146.89 33.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -98.43 127.78 44.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.17 113.66 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.757 ' HG2' HG13 ' A' ' 97' ' ' VAL . 2.0 tm-20 -92.46 101.57 14.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.81 HD11 HD12 ' A' ' 65' ' ' ILE . 75.5 mt -89.98 139.71 30.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.9 p -98.94 137.0 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -119.36 105.29 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -56.83 179.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.03 101.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.877 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' GLN . . . 96.51 -43.71 2.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLY . 42.3 tt0 -36.63 143.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.946 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.6 m -107.36 157.68 17.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.542 ' CD2' HD22 ' A' ' 91' ' ' LEU . 14.6 tp -42.49 -65.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.86 55.45 2.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.5 mt -141.46 119.75 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.427 ' HG2' HD11 ' A' ' 54' ' ' ILE . 16.2 mmm-85 -90.25 132.34 35.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 pt -112.18 170.03 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -155.07 140.3 10.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.11 84.33 1.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.532 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.984 0.421 . . . . 0.0 110.873 -179.768 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 t . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.928 0.394 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.03 -170.85 29.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.42 133.74 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.119 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.512 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 54.7 m-85 -139.66 147.86 41.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.5 t -68.4 104.58 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -67.99 -44.91 75.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -158.28 169.76 23.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.3 t -125.9 106.19 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.537 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.0 mp -53.41 129.31 52.18 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 0.0 111.175 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 154.8 67.17 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.77 22.8 54.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.445 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 p -110.48 168.57 9.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.815 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.19 -50.11 30.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.64 -58.06 9.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -47.27 -59.27 3.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -44.77 -59.82 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -50.96 -41.46 59.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.93 35.75 91.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.45 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.402 ' C ' HE21 ' A' ' 66' ' ' GLN . 18.4 m-70 -115.09 -36.96 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.81 HD12 HD11 ' A' ' 21' ' ' LEU . 20.3 mt -97.06 102.97 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.402 HE21 ' C ' ' A' ' 64' ' ' HIS . 40.1 mm-40 -104.82 -174.49 2.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.7 m -82.22 171.39 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 66.94 36.04 4.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -121.06 166.14 14.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.512 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.9 ttpt -121.22 122.23 39.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.433 HG12 HD11 ' A' ' 100' ' ' LEU . 16.6 mt -97.05 124.56 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.7 m -103.33 -22.2 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.15 145.41 19.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.651 HG11 HD23 ' A' ' 91' ' ' LEU . 60.9 t -127.74 121.91 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 55.6 38.41 30.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.25 24.14 71.95 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 79' ' ' ILE . 86.6 t -118.0 108.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 111.131 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -60.86 95.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.475 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.9 pt -95.89 18.09 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.07 75.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 123.29 19.72 2.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.461 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 2.9 m-85 -83.02 158.35 22.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.379 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' ASP . . . -81.41 142.0 33.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' ALA . 22.6 t-20 -34.46 -57.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -65.16 -36.23 83.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.584 ' O ' HG23 ' A' ' 90' ' ' VAL . 6.4 m-20 -60.6 -30.02 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.5 t -79.97 -31.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.9 t -61.83 -52.1 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -58.04 -40.8 81.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 86' ' ' ASP . 72.7 t -53.63 -42.67 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.651 HD23 HG11 ' A' ' 74' ' ' VAL . 10.9 mt -65.01 -46.31 81.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -59.54 -43.65 93.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -59.96 -38.48 82.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.43 145.91 13.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.95 -157.28 33.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -50.92 -60.27 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.832 0.348 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.757 HG13 ' HG2' ' A' ' 20' ' ' GLU . 96.4 t -74.74 100.02 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.475 HG21 HD13 ' A' ' 29' ' ' LEU . 89.2 t -106.15 101.99 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.452 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 5.7 m80 -85.09 101.29 12.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.638 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -88.84 128.3 35.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.429 ' N ' HD13 ' A' ' 100' ' ' LEU . 5.8 m -101.71 107.63 18.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.638 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.9 OUTLIER -120.53 156.58 31.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.434 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.0 OUTLIER -134.4 111.94 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -109.89 158.47 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.562 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 1.6 ttt180 -69.98 123.2 20.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.4 mm? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.852 0.358 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.586 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 6.8 m-85 -112.75 162.31 15.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -125.96 128.65 47.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.6 m -97.14 142.85 28.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.185 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -140.97 145.08 35.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.956 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -95.57 131.3 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.436 ' CG1' ' ND2' ' A' ' 62' ' ' ASN . 2.8 t -119.39 115.82 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.629 ' HG3' HG13 ' A' ' 97' ' ' VAL . 7.1 tt0 -93.52 104.27 16.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.535 HD11 HD12 ' A' ' 65' ' ' ILE . 69.8 mt -89.82 152.15 21.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.02 134.4 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -105.44 102.65 12.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -53.03 177.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.1 75.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.26 -43.74 1.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.416 ' OE1' ' HB2' ' A' ' 58' ' ' ALA . 25.6 tt0 -51.13 142.69 12.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.799 0.333 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.1 m -108.09 170.81 7.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -50.4 -67.63 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.416 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 80.62 54.72 3.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 59' ' ' ALA . 38.5 mt -133.84 115.0 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 111.106 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.72 ' NH1' HD11 ' A' ' 54' ' ' ILE . 15.1 mmp_? -83.95 143.57 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.7 pt -126.35 169.97 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -152.77 147.45 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.508 ' N ' HD21 ' A' ' 84' ' ' ASN . . . -97.58 104.29 2.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.901 0.381 . . . . 0.0 110.922 -179.81 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.93 0.395 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.14 -131.87 3.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.4 mm -123.35 123.71 68.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.55 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 69.3 m-85 -126.55 147.59 49.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 66.7 t -67.01 109.58 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -73.87 -38.66 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 m -164.59 167.36 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.691 HG21 ' HA ' ' A' ' 66' ' ' GLN . 96.9 t -133.78 112.26 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.161 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.72 HD11 ' NH1' ' A' ' 32' ' ' ARG . 5.3 mp -58.72 127.06 82.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.706 . . . . 0.0 111.182 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 152.95 69.62 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.58 24.42 75.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.3 p -114.85 -176.06 2.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.416 ' HB2' ' OE1' ' A' ' 27' ' ' GLN . . . -66.3 -50.76 62.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.639 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -60.6 -51.54 68.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -57.92 -44.93 87.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -60.19 -46.71 88.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.436 ' ND2' ' CG1' ' A' ' 19' ' ' VAL . 24.3 t30 -54.92 -57.15 12.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.59 31.27 22.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -122.1 -29.78 4.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.601 HG23 HD21 ' A' ' 102' ' ' LEU . 11.6 mt -114.72 109.08 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.691 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -145.09 -178.32 5.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.2 m -48.71 162.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 64.68 38.16 7.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -132.93 146.95 52.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.55 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 2.9 ttpt -115.09 119.72 37.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.54 HG12 HD11 ' A' ' 100' ' ' LEU . 5.3 mp -92.53 126.16 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.165 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 m -103.42 -26.9 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -155.94 139.89 16.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.479 HG11 HD23 ' A' ' 91' ' ' LEU . 95.2 t -110.87 116.55 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.464 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 1.5 p30 52.8 27.41 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.69 -22.48 32.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 79' ' ' ILE . 84.5 t -73.58 108.43 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -66.12 87.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 77' ' ' VAL . 4.7 pt -85.33 26.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -74.8 51.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 153.55 31.71 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -104.53 160.84 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -82.47 143.98 30.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.508 HD21 ' N ' ' A' ' 35' ' ' GLY . 5.1 m120 -33.73 -61.63 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -61.85 -39.91 93.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.554 ' O ' HG23 ' A' ' 90' ' ' VAL . 70.5 m-20 -57.25 -31.68 65.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.4 t -78.77 -31.09 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.7 t -60.42 -49.95 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 6.9 pt-20 -59.38 -34.31 72.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 86' ' ' ASP . 92.0 t -59.48 -43.51 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.479 HD23 HG11 ' A' ' 74' ' ' VAL . 16.2 mt -64.28 -47.03 81.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 46.5 mtp85 -61.0 -40.93 95.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -62.01 -37.45 84.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.78 148.03 13.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.05 -155.05 30.78 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -54.09 -60.99 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.629 HG13 ' HG3' ' A' ' 20' ' ' GLU . 70.0 t -71.9 99.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.48 105.8 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.5 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 14.3 m80 -91.75 96.41 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.734 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -79.64 131.94 36.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.512 ' N ' HD13 ' A' ' 100' ' ' LEU . 2.6 m -105.79 102.98 12.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.734 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -118.43 161.44 19.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.1 p -137.62 121.22 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -109.58 155.58 21.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.586 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 3.4 ttm180 -75.46 127.18 32.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 14' ' ' PHE . 3.5 mtpm? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.443 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 14.5 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.495 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 22.7 m-85 -108.25 152.21 24.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -125.62 138.7 53.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.4 m -100.53 146.23 27.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -150.14 153.68 36.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -103.38 131.66 50.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.8 t -116.38 113.39 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 22.8 tt0 -86.08 112.01 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.565 HD21 HD12 ' A' ' 65' ' ' ILE . 85.4 mt -94.99 149.76 20.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 22' ' ' VAL . 4.2 p -110.38 122.97 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -92.46 92.47 8.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -54.1 163.11 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -41.53 97.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.0 44.36 61.6 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.425 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -103.33 135.16 45.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.3 m -96.85 138.06 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.463 ' CD2' HD22 ' A' ' 91' ' ' LEU . 11.9 tp -39.29 -68.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.464 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 82.09 50.79 4.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.503 HD11 ' HB2' ' A' ' 59' ' ' ALA . 73.4 mt -129.02 108.16 16.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.855 0.359 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -81.02 124.82 29.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.8 pt -106.84 170.06 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -148.79 147.09 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.41 96.94 1.4 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.931 0.396 . . . . 0.0 110.898 -179.75 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.7 p . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 145.76 -173.24 26.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.3 mm -92.94 122.59 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.541 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 3.1 m-85 -131.03 156.25 45.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.73 112.78 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -78.08 -38.29 44.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 m -163.59 169.29 18.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.588 HG21 ' HA ' ' A' ' 66' ' ' GLN . 48.1 t -136.52 119.86 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.69 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.6 mp -69.65 129.34 91.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.739 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 139.99 41.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.82 17.93 64.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 p -109.36 174.23 5.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.68 84.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.503 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -60.84 -44.57 96.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -65.87 -46.82 76.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -53.98 -44.37 70.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.405 HD22 HD23 ' A' ' 21' ' ' LEU . 19.2 t-20 -56.52 -75.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.78 16.64 11.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -114.8 -25.72 8.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.565 HD12 HD21 ' A' ' 21' ' ' LEU . 13.9 mt -110.53 110.93 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.588 ' HA ' HG21 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -151.88 -178.74 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.3 m -51.45 162.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 66.76 35.96 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.53 136.85 39.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.541 ' CG ' ' CZ ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -102.99 131.0 50.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.474 HG22 HD11 ' A' ' 79' ' ' ILE . 5.1 mp -100.24 133.86 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.7 m -111.02 -31.64 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.37 139.63 18.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.463 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 87.5 t -110.67 120.67 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.463 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 1.5 p30 52.8 27.82 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.18 -21.07 42.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.5 t -74.76 119.87 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 111.128 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -72.9 95.84 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.518 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.6 pt -89.76 15.94 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -59.29 90.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.94 -19.7 15.27 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.9 m-85 -48.57 141.4 7.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.94 156.87 38.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.422 ' O ' HG23 ' A' ' 88' ' ' VAL . 12.8 t-20 -42.75 -49.9 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -70.98 -44.74 65.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.563 ' O ' HG23 ' A' ' 90' ' ' VAL . 96.0 m-20 -52.31 -25.2 8.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 83.9 t -85.94 -35.54 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 84' ' ' ASN . 79.0 t -58.89 -50.4 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -57.22 -42.45 81.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 86' ' ' ASP . 80.5 t -52.98 -48.69 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' A' ' 29' ' ' LEU . 18.6 mt -58.04 -44.01 87.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.5 mtt-85 -62.07 -37.83 86.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -64.73 -39.08 93.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.632 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -53.21 158.84 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.47 -147.26 9.79 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -57.49 -56.35 22.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.434 HG13 ' HG3' ' A' ' 20' ' ' GLU . 87.8 t -81.18 104.71 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.632 HG22 ' HB1' ' A' ' 94' ' ' ALA . 94.5 t -119.82 109.15 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.468 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 20.9 m80 -94.5 99.45 11.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.82 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -81.57 126.87 32.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.471 ' N ' HD13 ' A' ' 100' ' ' LEU . 6.7 m -101.67 105.65 16.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.82 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -119.52 164.38 15.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.495 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.5 p -138.4 114.22 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -110.8 159.58 17.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -74.34 117.67 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.443 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 24.1 mttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.7 mm? . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.846 0.355 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.437 ' CB ' ' CG2' ' A' ' 103' ' ' VAL . 14.4 m-85 -108.17 158.38 17.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -118.26 126.15 51.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.9 m -95.4 145.12 25.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -154.61 146.05 23.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.5 135.59 38.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.683 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.0 t -118.11 116.76 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.926 ' HG3' HG13 ' A' ' 97' ' ' VAL . 35.7 tt0 -92.32 89.81 6.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.56 HD11 HD12 ' A' ' 65' ' ' ILE . 92.4 mt -72.84 142.95 47.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.6 p -108.7 135.69 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.107 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -105.25 113.13 26.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -57.65 179.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.33 79.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.13 40.92 2.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -120.21 162.37 19.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.1 m -114.98 170.88 8.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.809 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.9 tp -62.12 -66.29 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 57' ' ' SER . . . 84.94 51.42 3.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.4 mt -131.53 113.86 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -86.92 125.97 34.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 pt -109.74 168.23 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 p -148.89 142.37 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.48 94.28 1.37 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.413 . . . . 0.0 110.888 -179.783 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.466 ' N ' ' HH ' ' A' ' 49' ' ' TYR . 90.0 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.928 0.394 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.67 -130.99 3.11 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.461 ' CG2' HD12 ' A' ' 71' ' ' ILE . 26.5 mm -117.4 124.49 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 0.0 111.121 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.466 ' HH ' ' N ' ' A' ' 46' ' ' SER . 58.8 m-85 -130.34 145.92 51.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.7 t -69.33 94.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -57.87 -43.25 85.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -162.83 173.33 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.0 t -143.59 111.09 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.951 HG22 ' H ' ' A' ' 56' ' ' GLY . 4.1 mp -52.65 124.5 34.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.678 0.752 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.595 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 53.9 Cg_endo -69.74 3.57 2.68 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.951 ' H ' HG22 ' A' ' 54' ' ' ILE . . . -127.16 37.79 2.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.441 ' CB ' ' HA3' ' A' ' 30' ' ' GLY . 65.1 p -137.16 165.25 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.835 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 61' ' ' HIS . . . -49.51 -56.67 9.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.83 -33.65 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 55' ' ' PRO . 38.0 t80 -78.51 -36.82 44.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 58' ' ' ALA . 58.2 m-70 -69.12 -41.0 77.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.475 ' ND2' ' CD2' ' A' ' 64' ' ' HIS . 8.8 t30 -58.15 -48.34 80.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.87 35.72 34.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.683 ' HB2' HG11 ' A' ' 19' ' ' VAL . 76.2 m-70 -122.81 -39.02 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.56 HD12 HD11 ' A' ' 21' ' ' LEU . 22.0 mt -98.9 118.16 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -143.22 167.87 21.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.4 m -48.68 169.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 62.21 35.9 15.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -136.11 131.63 35.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -95.97 135.4 37.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.734 HG23 HD11 ' A' ' 100' ' ' LEU . 4.6 mt -94.96 122.42 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.2 m -102.44 -26.9 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.37 145.32 20.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.739 HG11 HD23 ' A' ' 91' ' ' LEU . 42.8 t -127.9 117.77 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.698 ' OD1' HG13 ' A' ' 98' ' ' VAL . 0.5 OUTLIER 54.32 40.52 31.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.54 29.19 60.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.8 t -123.25 107.01 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 111.138 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -63.86 92.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 81' ' ' GLY . 7.3 pt -87.67 9.72 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -55.02 84.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 116.31 19.81 5.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -87.09 164.93 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.927 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -85.8 154.97 21.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.524 ' O ' HG23 ' A' ' 88' ' ' VAL . 3.2 t-20 -45.29 -49.05 12.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -71.45 -45.74 61.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.809 ' O ' HG23 ' A' ' 90' ' ' VAL . 4.4 m-20 -50.14 -29.31 8.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 83' ' ' ALA . 57.5 t -82.44 -40.38 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 84' ' ' ASN . 91.6 t -55.87 -49.58 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -61.58 -40.27 94.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 86' ' ' ASP . 78.1 t -54.51 -43.09 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.739 HD23 HG11 ' A' ' 74' ' ' VAL . 12.8 mt -66.75 -44.16 82.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -61.24 -43.44 98.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -59.83 -38.15 81.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.87 142.83 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.53 -158.48 34.65 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.449 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -47.75 -59.39 3.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.926 HG13 ' HG3' ' A' ' 20' ' ' GLU . 94.5 t -75.27 98.9 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.698 HG13 ' OD1' ' A' ' 75' ' ' ASP . 62.3 t -105.88 105.56 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.542 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 7.2 m170 -90.51 94.04 9.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.889 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.734 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -86.12 128.51 34.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.466 ' N ' HD13 ' A' ' 100' ' ' LEU . 9.1 m -103.56 111.43 23.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.666 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -124.44 157.86 34.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.437 ' CG2' ' CB ' ' A' ' 14' ' ' PHE . 1.2 p -134.9 113.3 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -111.95 156.87 21.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 -65.76 131.65 46.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.41 ' O ' ' CD ' ' A' ' 106' ' ' LYS . 5.1 mp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.797 0.332 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.485 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 31.5 m-85 -101.28 145.62 28.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -118.06 140.37 49.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -102.93 137.33 41.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -137.42 147.05 45.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -97.7 132.87 42.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.429 ' CG1' ' ND2' ' A' ' 62' ' ' ASN . 2.9 t -119.62 113.81 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 14.4 tt0 -88.29 110.02 20.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.579 HD11 HD12 ' A' ' 65' ' ' ILE . 72.8 mt -96.24 144.68 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -106.31 136.05 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -111.82 105.36 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.01 177.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -66.88 80.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.39 41.28 1.92 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -124.05 129.24 50.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 0.0 110.905 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.4 m -84.32 175.85 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.43 HD21 HD12 ' A' ' 31' ' ' ILE . 11.0 tp -67.91 -69.58 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.675 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 89.37 43.7 5.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.54 HD11 ' HB2' ' A' ' 59' ' ' ALA . 87.1 mt -127.02 114.02 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 111.115 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mmt-85 -90.14 137.59 32.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 pt -114.28 166.57 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.3 p -137.76 149.06 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.581 ' N ' HD21 ' A' ' 84' ' ' ASN . . . -102.43 105.62 2.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.918 -179.824 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.4 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.939 0.4 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.62 -172.81 31.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.9 mm -97.93 121.59 48.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.379 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 20.8 m-85 -122.65 153.56 39.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 67.2 t -70.44 106.13 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -43.35 75.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 m -163.21 168.2 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.693 HG21 ' HA ' ' A' ' 66' ' ' GLN . 69.3 t -140.55 113.23 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.151 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.764 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.6 mp -56.59 135.09 77.58 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 111.092 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.534 ' HD2' HG23 ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.74 162.61 41.4 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.537 ' HA2' ' CE1' ' A' ' 61' ' ' HIS . . . 53.2 30.65 39.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.495 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 19.2 p -115.14 -177.58 3.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.98 -48.72 72.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.072 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -62.91 -54.28 40.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -57.21 -55.35 35.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.537 ' CE1' ' HA2' ' A' ' 56' ' ' GLY . 22.3 m-70 -48.28 -52.53 20.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.877 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.429 ' ND2' ' CG1' ' A' ' 19' ' ' VAL . 19.9 t30 -49.82 -51.85 36.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.59 33.75 24.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.44 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -128.59 -30.13 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.743 0.306 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.579 HD12 HD11 ' A' ' 21' ' ' LEU . 11.4 mt -113.97 104.82 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.693 ' HA ' HG21 ' A' ' 53' ' ' VAL . 1.1 pm0 -146.71 177.44 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.6 m -42.59 162.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 64.01 46.32 3.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -146.62 142.27 27.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 3.9 ttpp -107.25 125.27 50.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.468 HG12 HD11 ' A' ' 100' ' ' LEU . 53.9 mt -97.09 128.5 48.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 m -106.4 -32.09 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.76 135.3 20.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.543 HG12 ' OD2' ' A' ' 75' ' ' ASP . 96.8 t -106.1 116.65 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.543 ' OD2' HG12 ' A' ' 74' ' ' VAL . 3.5 p30 50.48 35.42 11.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.11 -23.26 37.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.2 t -72.91 109.19 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -68.49 90.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.54 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 4.9 pt -82.48 19.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -58.08 90.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 100.51 28.98 6.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.54 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.2 m-85 -90.18 146.15 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.754 ' HB1' ' CE1' ' A' ' 85' ' ' HIS . . . -68.58 138.45 55.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.581 HD21 ' N ' ' A' ' 35' ' ' GLY . 5.9 m120 -33.62 -43.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.754 ' CE1' ' HB1' ' A' ' 83' ' ' ALA . 11.9 p-80 -73.91 -47.19 39.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.927 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.4 m-20 -49.0 -37.6 20.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.0 t -70.9 -39.04 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 84' ' ' ASN . 99.1 t -56.34 -54.67 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 8.7 pt-20 -58.3 -38.21 76.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.927 HG23 ' O ' ' A' ' 86' ' ' ASP . 94.0 t -56.46 -42.65 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.472 HD23 HG11 ' A' ' 74' ' ' VAL . 15.6 mt -63.5 -47.99 79.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -57.76 -42.72 84.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -59.8 -40.68 89.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.641 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -47.15 151.52 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.504 ' O ' HG23 ' A' ' 98' ' ' VAL . . . -109.67 -153.48 14.71 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.519 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -51.87 -61.21 2.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.413 HG13 ' HG3' ' A' ' 20' ' ' GLU . 99.6 t -77.08 99.99 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.641 HG22 ' HB1' ' A' ' 94' ' ' ALA . 88.4 t -113.83 107.98 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.435 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 11.2 m80 -91.57 99.3 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.664 HD12 HD11 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -80.14 129.68 34.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.3 m -105.52 109.36 21.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.664 HD11 HD12 ' A' ' 100' ' ' LEU . 1.0 OUTLIER -120.75 162.01 20.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.7 p -139.39 108.52 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -108.47 164.73 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -72.43 131.82 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.41 ' CD ' ' O ' ' A' ' 13' ' ' LEU . 4.0 mtpm? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.1 p -131.79 176.06 8.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 110.836 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 m -107.3 150.25 26.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -141.4 -136.45 3.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 4' ' ' GLY . 84.0 p 34.38 46.74 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.854 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 p -127.09 115.13 18.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.5 161.68 37.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 9' ' ' SER . . . 155.58 156.04 7.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.534 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 8' ' ' GLY . 58.8 m -34.99 134.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.401 ' O ' HD21 ' A' ' 13' ' ' LEU . 23.9 p-10 -83.33 43.67 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -81.44 -61.71 1.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.3 m -104.63 75.71 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.401 HD21 ' O ' ' A' ' 10' ' ' ASP . 3.9 mm? -58.82 -37.74 77.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.442 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . 2.5 m-85 -100.72 171.69 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -130.11 129.82 44.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.9 m -94.55 144.82 25.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -148.36 147.45 29.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -98.49 138.76 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.646 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.5 t -123.85 114.27 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.712 ' HG3' HG13 ' A' ' 97' ' ' VAL . 15.0 tt0 -88.9 97.57 11.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.728 HD11 HD12 ' A' ' 65' ' ' ILE . 63.0 mt -85.56 147.93 26.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.8 p -111.4 134.73 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -105.22 104.95 14.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -50.63 175.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -67.05 83.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.08 40.52 2.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -120.4 160.14 23.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.7 p -111.38 178.56 4.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.705 ' CD2' HD22 ' A' ' 91' ' ' LEU . 10.1 tp -68.56 -52.67 29.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.43 43.76 29.69 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.547 HD11 ' HB2' ' A' ' 59' ' ' ALA . 89.1 mt -131.56 119.39 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 111.15 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -89.99 135.71 33.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.1 pt -114.28 160.24 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.5 p -133.81 141.75 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.68 ' N ' HD21 ' A' ' 84' ' ' ASN . . . -103.96 109.53 3.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -100.02 147.38 25.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.911 0.386 . . . . 0.0 110.935 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.5 t -119.61 -27.17 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.54 75.29 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.513 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.2 t -59.86 177.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.755 0.312 . . . . 0.0 111.178 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 t -86.69 157.17 19.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.3 t60 62.24 35.08 15.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.2 p -150.01 155.38 39.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -98.6 36.88 3.74 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -83.42 178.61 7.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.362 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.71 -175.39 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.0 p -148.94 122.47 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.95 -178.59 20.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.516 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.1 mm -89.87 123.08 41.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.508 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 80.1 m-85 -127.26 150.79 49.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.587 HG23 HD11 ' A' ' 71' ' ' ILE . 97.0 t -72.23 95.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.14 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -58.57 -45.55 88.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.453 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 4.3 m -159.31 179.11 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.486 HG21 ' HA ' ' A' ' 66' ' ' GLN . 59.7 t -137.04 110.17 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.3 mp -60.22 128.17 87.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.651 0.739 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.9 66.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.653 2.236 . . . . 0.0 112.364 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.97 29.06 69.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.53 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 6.3 p -122.2 174.51 6.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.66 -55.82 19.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.547 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -52.18 -56.02 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -54.11 -51.26 64.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 57' ' ' SER . 66.8 m-70 -55.41 -54.76 39.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.473 ' ND2' HD23 ' A' ' 21' ' ' LEU . 22.8 t30 -50.12 -53.81 24.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.55 29.73 35.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.646 ' HB2' HG11 ' A' ' 19' ' ' VAL . 14.1 m170 -115.62 -40.53 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.311 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.728 HD12 HD11 ' A' ' 21' ' ' LEU . 18.0 mt -97.67 122.42 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.486 ' HA ' HG21 ' A' ' 53' ' ' VAL . 16.3 mp0 -143.94 168.94 18.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 27.3 m -50.09 170.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 62.18 41.65 10.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -134.24 148.04 50.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.508 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.7 ttpt -109.56 111.24 22.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.587 HD11 HG23 ' A' ' 50' ' ' VAL . 5.3 mp -82.56 121.03 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 m -102.52 -22.88 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.43 144.14 13.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.597 HG11 HD23 ' A' ' 91' ' ' LEU . 84.1 t -115.42 115.83 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.48 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 2.4 p30 51.13 33.66 9.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.17 -22.73 38.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.453 HG21 HG13 ' A' ' 90' ' ' VAL . 95.7 t -69.76 109.65 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -68.98 86.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.534 HD11 HG22 ' A' ' 71' ' ' ILE . 6.6 pt -86.83 14.67 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' ILE . 66.6 mt-30 -37.59 -62.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.07 48.12 0.98 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.2 m-85 -101.7 168.26 9.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.39 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.76 153.05 22.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.683 ' O ' HG23 ' A' ' 88' ' ' VAL . 25.8 m120 -38.26 -54.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -63.26 -43.08 99.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.609 ' O ' HG23 ' A' ' 90' ' ' VAL . 11.5 t0 -60.66 -31.12 70.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 69.9 t -78.95 -35.6 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 84' ' ' ASN . 91.8 t -58.5 -53.13 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.03 -38.49 70.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 86' ' ' ASP . 74.1 t -58.54 -46.25 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.705 HD22 ' CD2' ' A' ' 29' ' ' LEU . 29.4 mt -59.2 -47.55 84.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -61.74 -40.94 96.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -64.04 -38.37 90.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.83 145.3 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.32 -157.51 32.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -51.39 -62.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.712 HG13 ' HG3' ' A' ' 20' ' ' GLU . 93.3 t -71.04 100.64 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 70.5 t -110.53 105.42 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 75' ' ' ASP . 13.0 m80 -90.55 93.29 9.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.583 HD13 ' H ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -78.18 135.5 37.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.583 ' H ' HD13 ' A' ' 100' ' ' LEU . 11.6 m -108.35 106.17 16.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.524 HD21 HG23 ' A' ' 65' ' ' ILE . 1.3 mp -116.92 158.75 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 14' ' ' PHE . 3.3 p -140.81 112.16 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -113.29 154.21 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -61.37 126.5 27.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -63.0 170.16 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.9 m 65.48 45.86 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 109' ' ' SER . 2.5 t -127.64 176.52 7.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 108' ' ' SER . 89.7 p -35.55 -42.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.9 m -44.56 167.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.4 t -102.36 149.91 23.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 43.0 m -40.64 151.37 0.26 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -167.31 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 38.0 mt -96.37 -57.38 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -132.51 73.2 77.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.659 0.742 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 148.05 63.93 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.606 2.204 . . . . 0.0 112.379 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 165.75 29.86 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.35 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 m -129.1 140.87 51.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -86.47 80.64 8.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.22 144.62 42.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 122' ' ' THR . . . -92.79 47.74 2.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 121' ' ' GLY . 11.3 t 34.06 39.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.808 0.337 . . . . 0.0 111.132 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 5.0 p -88.37 143.91 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.4 p -93.64 43.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 90.5 -166.05 31.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 1.25 4.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.336 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.0 p -51.29 -21.75 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 129' ' ' GLY . 22.9 t -142.59 163.47 32.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 128' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.486 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -53.43 -55.89 21.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t 55.73 42.17 29.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.06 123.96 1.22 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.3 p -72.53 138.8 47.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 110.825 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -63.65 -46.68 84.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.7 169.1 32.63 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.06 87.22 0.61 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.5 p -152.55 167.64 28.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.68 51.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 13' ' ' LEU . 57.6 m -54.35 -179.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' SER . 20.8 m -35.94 93.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 11' ' ' SER . 1.9 mm? -57.02 -32.01 65.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.49 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . 2.8 m-85 -104.53 170.91 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -126.7 130.88 51.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -96.76 135.32 38.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 102' ' ' LEU . 32.2 p90 -141.86 151.25 42.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.961 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.452 HD22 ' N ' ' A' ' 18' ' ' ASN . 1.7 m-80 -104.62 134.36 47.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.465 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.4 t -119.01 113.69 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.658 ' HG3' HG13 ' A' ' 97' ' ' VAL . 8.2 tt0 -85.42 103.03 13.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.782 HD11 ' CD1' ' A' ' 65' ' ' ILE . 48.0 mt -94.03 142.61 27.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 p -105.95 136.59 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -115.74 109.77 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -49.71 -179.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -72.29 83.02 1.04 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.828 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.87 35.64 2.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -120.08 136.66 54.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.1 p -83.84 156.79 22.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.567 ' CD2' HD22 ' A' ' 91' ' ' LEU . 15.1 tp -48.49 -52.85 20.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.422 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 82.89 51.41 4.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.412 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 86.0 mt -142.21 114.15 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 111.146 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -84.63 144.69 28.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.4 pt -121.19 170.95 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 p -155.25 141.89 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.75 131.31 10.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -125.75 149.74 48.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.938 0.399 . . . . 0.0 110.955 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.8 m -125.68 -24.25 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.02 60.04 9.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -105.79 -37.18 6.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.6 m -118.96 63.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -173.65 168.85 4.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.3 t -78.66 164.84 24.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 44' ' ' GLU . . . 38.83 85.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.443 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 43' ' ' GLY . 51.2 mt-10 -35.57 116.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.24 94.07 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.081 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.5 p -118.67 138.84 52.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.28 174.39 16.5 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mm -85.4 128.57 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 111.142 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.514 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 91.2 m-85 -129.29 159.75 35.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.2 t -82.12 101.72 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -67.12 -35.5 79.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -164.58 174.68 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.0 t -134.19 95.49 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.0 mp -40.72 132.43 1.77 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.646 0.736 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.4 ' HD2' HG23 ' A' ' 54' ' ' ILE . 53.8 Cg_endo -69.75 160.9 48.0 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.723 2.282 . . . . 0.0 112.335 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 48.07 35.49 13.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.8 p -117.99 175.47 5.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.883 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.2 -56.73 17.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.412 ' HB2' ' CG1' ' A' ' 31' ' ' ILE . . . -51.43 -43.73 62.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -66.07 -47.49 74.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -56.43 -48.62 76.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.42 ' ND2' HG12 ' A' ' 19' ' ' VAL . 21.3 t30 -59.11 -47.05 86.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.33 34.42 54.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.465 ' HB2' HG11 ' A' ' 19' ' ' VAL . 6.7 m-70 -117.03 -39.59 3.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.782 ' CD1' HD11 ' A' ' 21' ' ' LEU . 20.5 mt -95.99 128.67 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -143.98 172.53 12.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.437 HG23 ' ND2' ' A' ' 68' ' ' ASN . 28.1 m -59.34 173.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.437 ' ND2' HG23 ' A' ' 67' ' ' VAL . 2.4 m-20 62.8 35.23 13.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.51 152.38 50.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 4.5 ttpp -113.41 128.34 56.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.682 HG12 HD11 ' A' ' 100' ' ' LEU . 4.0 mp -96.79 128.87 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.9 m -107.93 -22.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.62 145.69 18.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.2 t -121.32 107.8 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.7 t70 63.83 31.03 14.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.87 -15.56 62.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.5 t -82.51 114.39 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -68.82 91.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.475 HD11 HG22 ' A' ' 71' ' ' ILE . 6.2 pt -85.12 16.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.47 96.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.07 -16.15 33.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -51.72 129.93 27.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.929 0.395 . . . . 0.0 110.848 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.696 ' HB3' ' OD2' ' A' ' 86' ' ' ASP . . . -62.95 157.93 20.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.578 ' O ' HG23 ' A' ' 88' ' ' VAL . 27.2 t-20 -39.48 -52.6 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -68.7 -48.83 62.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.7 ' O ' HG23 ' A' ' 90' ' ' VAL . 22.6 m-20 -46.02 -36.86 6.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.7 t -76.09 -37.38 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 84' ' ' ASN . 95.4 t -55.33 -56.77 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 9.7 pt-20 -53.13 -37.19 61.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 86' ' ' ASP . 93.3 t -57.57 -46.99 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.567 HD22 ' CD2' ' A' ' 29' ' ' LEU . 17.2 mt -60.41 -46.14 91.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -59.9 -40.25 88.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -63.52 -38.75 92.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.93 161.46 2.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.85 -149.13 9.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -58.07 -58.31 9.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.862 0.363 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.658 HG13 ' HG3' ' A' ' 20' ' ' GLU . 90.4 t -75.48 96.53 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.45 106.1 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 20.1 m80 -89.96 92.23 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.682 HD11 HG12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -75.8 127.46 33.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.416 ' N ' HD13 ' A' ' 100' ' ' LEU . 8.3 m -100.66 111.93 24.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 2.4 mp -119.49 155.28 32.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.49 ' CG2' ' HB2' ' A' ' 14' ' ' PHE . 2.1 p -133.74 107.21 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -107.56 154.73 20.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -67.47 132.46 47.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 107' ' ' THR . 12.0 mttm -72.49 -47.35 49.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 106' ' ' LYS . 60.0 m -33.88 140.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.9 m -39.19 116.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.6 p -166.66 176.89 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.82 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.1 m -76.16 52.46 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 112' ' ' SER . 22.7 p -141.19 160.56 39.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 111' ' ' THR . 48.6 p -36.37 152.43 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.682 0.753 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -166.47 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.718 2.279 . . . . 0.0 112.311 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.669 ' H ' HD23 ' A' ' 114' ' ' LEU . 1.2 pt? -76.54 -35.06 58.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.437 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 62.2 tt0 -133.81 73.98 70.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.638 0.732 . . . . 0.0 110.916 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 158.55 56.69 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.746 2.297 . . . . 0.0 112.356 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 84.05 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.32 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 90.7 p -167.91 -179.63 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.16 -178.46 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.446 ' N ' ' HD3' ' A' ' 120' ' ' ARG . 0.5 OUTLIER -98.32 172.32 7.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -130.03 157.04 21.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 122' ' ' THR . 8.9 t -85.45 115.79 23.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 111.147 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 73.3 t -108.68 147.11 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.2 p -108.52 -45.25 3.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.87 -96.03 0.84 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 171.14 14.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.343 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.1 t -118.23 101.14 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 36.6 p -123.19 -48.04 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.458 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -74.02 -55.7 5.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 m 61.37 42.1 12.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.17 -115.75 1.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -154.35 171.63 18.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 t -167.99 170.4 10.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.95 162.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -128.58 89.21 0.32 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.9 p -53.89 158.35 2.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.365 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.408 ' O ' HD21 ' A' ' 13' ' ' LEU . 3.8 p30 -122.19 41.58 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -85.4 -57.16 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -103.1 79.23 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.408 HD21 ' O ' ' A' ' 10' ' ' ASP . 3.9 mm? -65.82 -37.04 85.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.403 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . 2.5 m-85 -100.82 173.55 6.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' HB3' ' CE ' ' A' ' 106' ' ' LYS . 2.2 pt-20 -135.82 129.71 32.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.1 m -94.32 139.84 30.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -144.3 145.04 31.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -95.1 136.25 35.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.537 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.9 t -121.94 115.47 46.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' O ' ' CD ' ' A' ' 20' ' ' GLU . 4.4 tm-20 -90.35 102.03 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.808 HD11 ' CD1' ' A' ' 65' ' ' ILE . 47.1 mt -92.41 137.63 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.6 131.7 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.186 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -99.1 106.97 19.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -57.87 169.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.74 85.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.88 44.13 5.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.466 ' HG2' ' N ' ' A' ' 28' ' ' SER . 40.8 tt0 -118.1 152.6 35.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.347 . . . . 0.0 110.907 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.466 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 65.2 m -102.26 152.07 21.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.543 ' CD2' HD22 ' A' ' 91' ' ' LEU . 12.1 tp -46.39 -61.18 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.64 47.34 4.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.55 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.495 HD12 ' CD2' ' A' ' 29' ' ' LEU . 80.8 mt -136.26 121.0 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.458 ' HG2' HD11 ' A' ' 54' ' ' ILE . 17.8 mmt180 -94.97 128.66 41.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.497 HD13 ' HB ' ' A' ' 87' ' ' VAL . 7.5 pt -106.31 173.75 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 p -152.14 147.46 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.58 106.99 3.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -87.55 144.67 26.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.914 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.0 t -116.44 -25.12 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.162 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.46 87.75 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.8 t -116.29 40.45 2.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.777 0.322 . . . . 0.0 111.122 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.0 m -144.02 -178.95 6.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 41' ' ' HIS . 0.0 OUTLIER -46.79 -20.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.2 p -82.77 103.11 12.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.76 -49.93 27.1 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -78.0 47.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.38 26.8 10.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.3 t -112.38 121.71 45.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.76 -164.14 34.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.411 ' CG2' ' HB ' ' A' ' 33' ' ' ILE . 17.7 mm -101.05 137.53 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 111.118 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.484 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 13.5 m-85 -137.34 146.94 45.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.762 HG23 HD11 ' A' ' 71' ' ' ILE . 87.6 t -69.21 101.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -68.1 -42.94 79.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.7 m -160.38 170.54 20.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.4 t -132.6 105.4 8.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.734 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.2 mp -51.6 130.43 35.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.659 0.742 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 156.01 64.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.7 28.59 63.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.5 p -115.03 170.85 8.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.32 -51.84 41.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.24 -53.69 55.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -53.13 -51.84 60.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -53.88 -53.09 57.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -49.77 -54.78 17.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.75 33.5 24.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.446 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.537 ' HB2' HG11 ' A' ' 19' ' ' VAL . 12.3 m-70 -118.68 -39.7 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.808 ' CD1' HD11 ' A' ' 21' ' ' LEU . 17.4 mt -93.48 125.97 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -143.17 167.13 22.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.5 m -56.82 171.68 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 64.66 40.24 5.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -133.38 157.06 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.484 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 18.0 ttpt -116.24 113.4 22.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.762 HD11 HG23 ' A' ' 50' ' ' VAL . 5.0 mp -83.84 121.07 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.1 m -105.51 -29.04 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.544 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -146.4 142.68 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.753 HG11 HD23 ' A' ' 91' ' ' LEU . 89.0 t -129.32 118.97 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.4 t70 63.63 35.91 11.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.96 25.33 69.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.7 t -124.86 116.69 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -62.88 96.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.624 HD11 HG22 ' A' ' 71' ' ' ILE . 6.6 pt -86.91 15.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.181 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -56.92 92.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.25 -25.54 7.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.496 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 7.0 m-85 -47.78 130.78 14.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.895 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.454 ' N ' ' HB2' ' A' ' 86' ' ' ASP . . . -67.88 166.38 15.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.4 ' O ' HD11 ' A' ' 33' ' ' ILE . 13.4 t-20 -42.66 -60.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -63.06 -45.41 92.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.758 ' O ' HG23 ' A' ' 90' ' ' VAL . 10.3 m-20 -48.79 -32.33 8.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.497 ' HB ' HD13 ' A' ' 33' ' ' ILE . 84.5 t -82.59 -39.09 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.2 t -57.05 -49.98 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -58.87 -39.43 81.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 86' ' ' ASP . 84.7 t -55.96 -42.7 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.753 HD23 HG11 ' A' ' 74' ' ' VAL . 21.8 mt -63.44 -47.7 80.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -59.48 -43.3 93.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -61.07 -40.01 92.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.22 157.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.37 -155.85 19.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -50.1 -61.38 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.407 HG13 ' HG2' ' A' ' 20' ' ' GLU . 89.5 t -73.6 95.42 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 96.1 t -104.8 100.03 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.413 ' NE2' ' HB2' ' A' ' 20' ' ' GLU . 6.1 m80 -86.74 99.93 12.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.486 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -85.63 132.52 34.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.544 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . 9.9 m -105.6 109.37 21.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.584 HD21 HG23 ' A' ' 65' ' ' ILE . 1.5 mp -120.35 158.38 27.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 103' ' ' VAL . 3.0 p -141.86 112.21 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -111.95 155.49 23.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -68.33 122.31 18.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.432 ' CE ' ' HB3' ' A' ' 15' ' ' GLU . 24.3 mttt -59.97 -44.35 94.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 97.3 m -38.28 140.23 0.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.1 p -56.75 172.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.6 t -97.07 174.56 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.4 p -57.37 166.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 12.0 t -60.44 142.11 55.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.435 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 13.4 m 59.75 54.94 4.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.683 0.754 . . . . 0.0 110.848 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 112' ' ' SER . 54.4 Cg_endo -69.73 -171.13 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.645 2.23 . . . . 0.0 112.334 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 37.4 mt -104.91 -56.51 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -121.68 65.08 17.54 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 143.52 51.16 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.682 2.254 . . . . 0.0 112.331 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 124.24 10.88 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.1 p -101.79 40.03 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -148.14 136.11 21.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.468 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 2.5 mpt_? -76.63 106.42 8.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -80.75 166.27 48.77 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 69.0 p -62.66 133.92 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 111.09 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 123' ' ' VAL . 11.0 p -90.19 130.11 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 123' ' ' VAL . 6.0 m -37.78 135.79 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -90.88 -174.61 44.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 123.25 9.92 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 33.7 t -118.22 97.02 5.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.809 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 68.8 m -83.46 149.84 26.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.432 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -120.84 83.81 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.389 . . . . 0.0 110.895 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 p -51.99 135.75 30.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.29 -89.52 0.96 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -124.83 121.71 35.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 m -58.72 -47.19 85.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.96 52.32 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.15 122.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.6 t -125.92 138.23 53.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.878 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.944 ' OD1' HD11 ' A' ' 13' ' ' LEU . 3.3 t70 -113.67 51.19 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.3 t -99.8 -61.3 1.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 m -102.29 67.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.944 HD11 ' OD1' ' A' ' 10' ' ' ASP . 3.3 mm? -66.32 -31.83 72.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -113.4 159.98 18.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -119.28 133.56 55.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.2 m -98.95 142.98 29.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.402 ' CE2' HD13 ' A' ' 102' ' ' LEU . 30.8 p90 -144.31 144.74 31.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -96.5 133.07 41.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.568 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.5 t -119.37 113.21 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -88.28 93.92 9.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.789 HD11 ' CD1' ' A' ' 65' ' ' ILE . 52.7 mt -83.37 142.47 31.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.7 p -108.3 140.66 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -107.89 105.85 15.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -53.48 173.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -60.96 89.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.08 42.25 4.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.456 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -119.25 159.74 23.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.0 p -113.07 179.73 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.425 ' CD2' HD22 ' A' ' 91' ' ' LEU . 9.2 tp -74.74 -50.93 15.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.62 44.77 62.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.528 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.595 HD11 ' HB2' ' A' ' 59' ' ' ALA . 88.6 mt -129.03 99.54 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.106 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.552 ' HG2' HD11 ' A' ' 54' ' ' ILE . 30.1 mmt180 -72.57 133.38 44.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.9 pt -109.53 162.84 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 p -135.86 142.97 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.88 109.2 3.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -102.82 144.55 31.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.3 t -114.69 -33.89 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.83 114.21 0.26 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.0 t -82.81 36.7 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 111.157 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 t -161.68 143.89 11.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.26 -38.61 87.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.0 p -148.17 116.8 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.155 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.75 -47.45 0.87 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.52 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -78.89 138.25 38.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.27 122.62 17.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.0 p -123.77 129.1 50.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.12 -161.67 25.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.412 ' C ' ' CD1' ' A' ' 49' ' ' TYR . 28.0 mm -98.92 140.62 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.554 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 15.7 m-85 -142.77 159.77 41.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.603 HG23 HD11 ' A' ' 71' ' ' ILE . 79.0 t -78.01 105.82 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -69.5 -47.96 62.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.9 p -147.83 167.68 24.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.553 HG21 ' HA ' ' A' ' 66' ' ' GLN . 98.0 t -132.98 86.12 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.802 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.8 mp -47.77 131.92 11.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 164.1 35.85 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.13 18.23 47.83 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 p -110.88 161.06 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.92 0.391 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.01 -47.37 11.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.595 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -57.91 -58.67 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -54.58 -55.48 28.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -50.15 -54.46 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.586 ' ND2' ' CD2' ' A' ' 64' ' ' HIS . 14.5 t30 -52.36 -45.86 65.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.12 35.31 53.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.586 ' CD2' ' ND2' ' A' ' 62' ' ' ASN . 76.7 m-70 -120.46 -38.9 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 110.823 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.789 ' CD1' HD11 ' A' ' 21' ' ' LEU . 20.2 mt -97.65 122.81 49.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.553 ' HA ' HG21 ' A' ' 53' ' ' VAL . 10.9 mp0 -140.88 166.35 25.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.0 m -52.6 172.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 59.77 33.81 21.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.83 147.37 47.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.554 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.8 ttpt -108.66 120.06 41.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.603 HD11 HG23 ' A' ' 50' ' ' VAL . 3.8 mp -92.35 124.19 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.6 m -105.0 -22.09 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.458 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -156.76 141.18 16.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.814 HG11 HD23 ' A' ' 91' ' ' LEU . 99.8 t -124.33 123.99 67.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.442 ' OD2' ' HB1' ' A' ' 94' ' ' ALA . 2.0 t70 62.73 30.25 16.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.33 20.84 65.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 81.5 t -120.31 121.58 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.377 . . . . 0.0 111.094 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -65.8 94.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.9 pt -90.05 17.77 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -59.92 90.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.4 -15.92 9.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -54.01 133.24 43.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.48 ' N ' ' HB2' ' A' ' 86' ' ' ASP . . . -66.6 159.58 27.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.578 ' O ' HG23 ' A' ' 88' ' ' VAL . 24.4 t-20 -39.69 -54.36 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -68.25 -45.34 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.78 ' O ' HG23 ' A' ' 90' ' ' VAL . 4.0 m-20 -49.35 -33.24 13.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.92 -39.65 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 84' ' ' ASN . 99.3 t -56.23 -49.84 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 14.0 pt-20 -59.82 -37.55 79.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 86' ' ' ASP . 97.2 t -57.86 -45.42 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.814 HD23 HG11 ' A' ' 74' ' ' VAL . 13.7 mt -63.5 -46.74 84.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -61.31 -40.96 96.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -62.28 -38.18 88.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.476 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -56.65 152.6 11.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.436 ' O ' HG23 ' A' ' 98' ' ' VAL . . . -101.72 -150.5 23.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.457 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -54.06 -59.68 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.925 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.62 96.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.476 HG22 ' HB1' ' A' ' 94' ' ' ALA . 74.7 t -109.53 100.02 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 75' ' ' ASP . 11.4 m80 -84.74 103.61 13.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.452 HD13 ' N ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -88.07 131.66 34.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.458 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . 6.6 m -106.96 111.2 23.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.18 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.501 HD21 HG12 ' A' ' 65' ' ' ILE . 1.1 mp -119.38 159.63 23.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.01 111.76 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -113.33 160.4 18.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -66.09 132.12 47.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -74.86 161.69 29.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 69.6 p -62.18 104.57 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 m -162.66 125.51 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.1 p -97.22 172.96 7.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 40.2 t -115.1 152.96 31.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.7 t -56.76 135.52 55.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 60.5 p -140.8 142.11 27.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -168.87 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.7 2.267 . . . . 0.0 112.316 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.577 ' H ' HD23 ' A' ' 114' ' ' LEU . 1.3 pt? -92.84 -32.88 14.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.42 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 13.6 tt0 -134.96 71.55 69.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.728 . . . . 0.0 110.92 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 146.15 59.32 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 96.75 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.659 2.239 . . . . 0.0 112.303 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.9 m -102.76 -54.16 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -118.69 107.55 13.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -55.69 -48.47 75.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -123.72 -133.47 4.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.465 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 123' ' ' VAL . 7.3 t -152.79 151.57 30.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 111.173 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 122' ' ' THR . 32.8 m 41.67 37.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.6 m -107.58 125.38 51.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.406 ' HA2' ' HD2' ' A' ' 126' ' ' PRO . . . 106.37 99.7 2.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.406 ' HD2' ' HA2' ' A' ' 125' ' ' GLY . 53.9 Cg_endo -69.75 158.71 56.02 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.391 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.2 t -65.2 141.53 58.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 19.3 m -86.7 140.65 29.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 m -156.11 159.13 38.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -119.06 174.3 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.77 91.55 0.12 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.7 p -142.19 142.15 32.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -144.36 156.89 44.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.25 -117.22 0.82 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.58 115.64 0.21 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.454 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.6 t -111.12 42.44 1.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.435 ' CA ' HD21 ' A' ' 13' ' ' LEU . 1.7 m-20 53.21 42.95 32.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.9 p -96.84 -56.03 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.2 m -104.55 72.06 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.435 HD21 ' CA ' ' A' ' 10' ' ' ASP . 3.9 mm? -74.02 -28.87 61.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.957 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 11.7 m-85 -118.11 151.47 37.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -117.26 141.45 48.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.7 m -109.4 144.84 37.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -155.5 151.22 27.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.05 135.0 43.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.464 ' HB ' HD11 ' A' ' 65' ' ' ILE . 2.2 t -113.9 117.87 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.795 ' HG3' HG13 ' A' ' 97' ' ' VAL . 18.3 tt0 -92.68 90.12 6.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.769 HD11 HD12 ' A' ' 65' ' ' ILE . 79.7 mt -78.18 147.66 34.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -111.49 132.01 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -111.06 107.21 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -52.04 -178.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -72.25 82.26 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.99 -43.21 1.39 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -52.65 139.99 24.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.339 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.2 m -101.44 159.78 14.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 tp -37.76 -69.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.541 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 89.68 55.33 2.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.445 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' ' 59' ' ' ALA . 66.1 mt -143.4 126.07 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.347 . . . . 0.0 111.072 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -99.98 138.65 36.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.0 pt -117.2 164.01 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.08 160.03 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -117.33 85.79 0.4 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -76.76 146.88 37.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.942 0.401 . . . . 0.0 110.923 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.6 t -123.47 -32.0 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.58 137.59 8.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.4 t -145.13 -178.41 6.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 0.0 111.173 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.545 ' O ' ' CG ' ' A' ' 41' ' ' HIS . 3.4 m 60.53 28.47 18.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 40' ' ' SER . 9.6 p-80 46.22 38.63 5.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.7 p -93.92 -41.04 9.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 44.86 42.52 7.86 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.528 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -116.04 13.84 15.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -173.23 107.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.062 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.9 p -153.92 112.07 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.33 -153.05 23.56 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.3 mm -102.04 124.16 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 76.3 m-85 -130.1 145.89 51.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.558 HG23 HD11 ' A' ' 71' ' ' ILE . 55.2 t -66.36 104.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -67.71 -38.23 83.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 m -165.41 175.96 8.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.718 HG21 ' HA ' ' A' ' 66' ' ' GLN . 90.5 t -143.35 114.14 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.735 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.4 mp -57.93 132.55 83.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HD2' HG23 ' A' ' 54' ' ' ILE . 53.5 Cg_endo -69.75 157.82 59.07 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.356 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.54 32.08 68.18 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.1 p -118.92 -176.35 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.361 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.67 -52.61 35.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.136 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.623 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -57.48 -46.67 83.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -63.33 -55.97 20.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -50.29 -56.16 12.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.439 ' ND2' ' CG1' ' A' ' 19' ' ' VAL . 21.2 t30 -47.64 -46.77 29.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.33 34.45 50.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -123.44 -32.06 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.786 0.327 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.769 HD12 HD11 ' A' ' 21' ' ' LEU . 21.1 mt -111.96 102.12 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.718 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -140.64 175.74 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.7 m -42.31 164.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 60.6 45.99 9.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -138.42 135.8 35.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 4.0 ttpt -102.72 114.45 28.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.558 HD11 HG23 ' A' ' 50' ' ' VAL . 5.1 mp -86.44 124.14 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.3 m -104.77 -22.23 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.569 ' HB3' ' HB ' ' A' ' 101' ' ' THR . . . -158.75 151.4 21.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.404 HG11 HD23 ' A' ' 91' ' ' LEU . 98.1 t -131.86 119.48 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.544 ' OD1' HG13 ' A' ' 98' ' ' VAL . 0.7 OUTLIER 59.94 36.34 21.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.23 26.62 61.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.7 t -124.39 118.35 53.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.847 0.356 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -66.32 96.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.439 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 5.9 pt -92.61 18.19 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -59.33 93.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.18 -19.57 13.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.4 m-85 -47.7 134.07 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -71.04 153.14 42.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.632 ' O ' HG23 ' A' ' 88' ' ' VAL . 20.6 t-20 -34.44 -57.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -64.81 -46.79 80.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.502 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.3 m-20 -51.56 -32.81 29.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' ' 82' ' ' PHE . 77.8 t -81.64 -33.59 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 84' ' ' ASN . 72.9 t -58.81 -51.53 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.42 -41.54 72.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 86' ' ' ASP . 91.5 t -55.99 -39.93 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.404 HD23 HG11 ' A' ' 74' ' ' VAL . 34.4 mt -65.88 -47.03 76.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -58.05 -43.45 86.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -58.9 -36.35 74.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.84 145.37 55.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -104.64 -150.07 20.12 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -48.81 -60.9 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.795 HG13 ' HG3' ' A' ' 20' ' ' GLU . 81.9 t -73.59 101.54 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.544 HG13 ' OD1' ' A' ' 75' ' ' ASP . 65.6 t -110.98 104.35 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 11.2 m80 -89.39 92.42 9.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.56 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -83.41 132.63 34.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.569 ' HB ' ' HB3' ' A' ' 73' ' ' ALA . 15.7 m -106.78 110.29 22.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.56 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -122.39 165.08 16.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.6 p -139.7 106.56 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -104.45 160.35 14.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -71.16 126.48 29.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.456 ' HD2' ' C ' ' A' ' 14' ' ' PHE . 14.2 mtpt -72.79 168.5 18.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 89.7 m -75.85 -52.59 10.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 m -147.29 136.28 22.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.2 t -84.05 118.57 24.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.8 p -116.26 -40.72 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 34.7 p -71.94 131.19 42.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.088 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.2 p -145.09 137.6 13.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.696 0.76 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -164.65 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.364 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.1 mt -93.31 -39.21 11.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -125.22 67.35 55.01 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.56 51.23 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.665 2.244 . . . . 0.0 112.336 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 165.73 29.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.721 2.281 . . . . 0.0 112.353 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.2 p -114.14 106.28 14.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.812 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -117.61 162.88 17.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -131.71 146.79 52.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -156.22 177.74 33.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.9 t -164.64 150.51 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 111.152 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.0 p -93.6 139.18 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.1 m -98.26 178.31 5.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -112.69 84.46 0.36 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 177.06 5.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.5 t -110.88 171.45 7.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.7 t 61.48 42.33 11.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -169.27 170.87 8.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -168.79 159.53 9.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.54 -126.74 2.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t 63.46 42.4 6.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.1 m -102.57 112.36 25.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.17 -118.19 1.43 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 126.43 131.18 3.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.4 m -151.26 118.98 6.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -33.95 55.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.2 p -44.1 -27.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.1 m -82.58 33.75 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 21.2 mt -40.71 -27.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.658 ' HB3' HG22 ' A' ' 103' ' ' VAL . 8.9 m-85 -111.15 157.62 19.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -124.02 131.66 53.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.3 m -97.06 144.19 27.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.409 ' CE1' ' NE ' ' A' ' 104' ' ' ARG . 48.3 p90 -151.18 153.65 35.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.03 132.03 51.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.552 ' HB ' HD11 ' A' ' 65' ' ' ILE . 2.0 t -113.14 109.91 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.893 ' HG3' HG13 ' A' ' 97' ' ' VAL . 32.4 tt0 -86.96 88.58 7.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.962 HD11 HD12 ' A' ' 65' ' ' ILE . 47.3 mt -79.85 137.23 36.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -102.09 132.22 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -101.57 99.54 9.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -50.87 179.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -60.86 89.85 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.9 -39.49 2.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.518 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -48.86 119.56 3.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.5 m -86.44 173.0 9.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.0 tp -56.53 -65.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.04 55.47 3.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 59' ' ' ALA . 83.5 mt -137.16 120.3 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 111.129 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -96.13 139.0 32.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.6 pt -117.96 173.14 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 p -152.03 149.47 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.444 ' N ' HD21 ' A' ' 84' ' ' ASN . . . -102.7 115.28 5.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -98.51 150.44 21.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.946 0.403 . . . . 0.0 110.884 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.1 m -126.37 -24.8 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 69.36 97.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.4 t -125.82 -25.85 3.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.136 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.4 t -66.52 143.25 57.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' THR . 1.2 p-80 -58.82 156.22 11.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 41' ' ' HIS . 9.7 t 35.33 50.43 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.68 50.23 0.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.77 120.14 11.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.77 112.04 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.9 p -136.72 113.96 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.25 -169.65 42.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.7 mm -99.96 122.16 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.161 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.522 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 37.1 m-85 -129.06 148.67 51.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.5 t -63.9 120.18 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -78.83 -40.54 32.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.437 ' HA ' ' CG1' ' A' ' 67' ' ' VAL . 1.8 m -167.74 169.46 11.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.553 HG21 ' HA ' ' A' ' 66' ' ' GLN . 17.4 t -130.19 129.56 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.537 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.3 mp -75.86 124.93 88.76 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.719 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 121.87 8.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.0 16.57 18.69 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.7 p -112.82 176.18 5.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 0.0 110.893 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.94 -46.95 87.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.07 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.585 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -58.5 -32.88 69.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -82.17 -18.96 40.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.979 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -77.32 -46.29 23.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.474 ' ND2' ' CG1' ' A' ' 19' ' ' VAL . 16.2 t-20 -68.42 -40.22 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.72 18.73 78.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.41 ' CA ' HE22 ' A' ' 66' ' ' GLN . 19.5 m-70 -106.04 -15.5 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.962 HD12 HD11 ' A' ' 21' ' ' LEU . 38.2 mt -122.24 95.11 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.553 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -134.93 177.91 7.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.437 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 16.3 m -50.36 165.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 64.94 38.37 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -130.93 157.53 42.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.522 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.8 ttpt -119.36 126.19 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.447 HG23 HD11 ' A' ' 100' ' ' LEU . 41.3 mt -94.36 123.87 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.528 ' CG2' HG22 ' A' ' 101' ' ' THR . 3.1 m -102.79 -34.12 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -150.84 149.81 30.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.781 HG11 HD23 ' A' ' 91' ' ' LEU . 48.3 t -132.41 110.09 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.06 39.03 13.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.6 24.6 67.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 79' ' ' ILE . 71.4 t -119.23 108.42 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.153 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -64.14 93.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 81' ' ' GLY . 6.5 pt -88.45 10.08 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -58.48 78.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 122.71 17.65 3.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -87.96 149.13 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -73.59 145.58 45.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.055 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' ALA . 4.5 m120 -34.52 -61.32 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -59.36 -45.02 92.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.669 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.6 m-20 -52.53 -29.35 24.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.3 t -83.39 -35.27 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 84' ' ' ASN . 75.3 t -60.71 -41.71 89.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 4.4 pt-20 -68.26 -31.64 71.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 86' ' ' ASP . 93.7 t -65.66 -46.13 90.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.781 HD23 HG11 ' A' ' 74' ' ' VAL . 15.2 mt -62.12 -42.56 99.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -64.82 -37.81 88.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 89' ' ' GLU . 28.6 m-80 -63.65 -32.82 74.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.22 148.53 36.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.51 -158.66 28.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -43.81 -61.04 1.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.893 HG13 ' HG3' ' A' ' 20' ' ' GLU . 90.9 t -73.94 96.55 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 56.4 t -102.72 97.23 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 5.2 m80 -82.04 94.78 7.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.515 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -85.68 125.59 33.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.528 HG22 ' CG2' ' A' ' 72' ' ' VAL . 6.5 m -102.48 116.38 32.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -135.37 160.08 39.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.658 HG22 ' HB3' ' A' ' 14' ' ' PHE . 2.5 p -132.66 121.28 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.409 ' NE ' ' CE1' ' A' ' 17' ' ' TYR . 70.1 mtm180 -108.01 155.45 20.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.491 ' HD2' ' CE2' ' A' ' 14' ' ' PHE . 37.9 ttt180 -78.47 120.89 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.45 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 8.9 mttm -54.63 -178.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 108' ' ' SER . 39.8 p -73.52 178.64 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 107' ' ' THR . 33.0 m -36.71 138.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 91.5 p -117.02 -178.5 3.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.4 m -58.45 166.02 1.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.807 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 58.5 p 44.63 45.54 8.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.185 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.0 p -69.7 144.77 94.16 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.665 0.745 . . . . 0.0 110.902 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -166.83 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.254 . . . . 0.0 112.326 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 28.8 mt -104.16 -56.65 2.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -125.62 68.89 61.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 166.52 27.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 140.87 43.83 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.2 m -148.2 149.19 31.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -80.38 145.8 31.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -125.61 142.37 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -79.56 178.03 53.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 10.6 t -109.18 146.77 33.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.831 0.348 . . . . 0.0 111.135 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 88.9 t -144.79 113.91 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.3 t -81.63 159.72 23.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -105.94 170.5 16.97 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 179.73 3.47 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.248 . . . . 0.0 112.327 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.6 m -138.83 174.72 10.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 15.8 m 56.26 43.3 26.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.481 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m 65.38 41.37 4.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -67.15 -48.6 67.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.89 -101.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t 68.71 40.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.932 0.396 . . . . 0.0 110.903 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -140.86 151.84 44.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.2 -141.97 15.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.53 124.14 2.51 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 t -167.22 154.39 8.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.532 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -85.46 84.18 7.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 m -95.23 -74.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 m -88.88 83.46 6.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.642 HD12 HD22 ' A' ' 114' ' ' LEU . 3.8 mm? -79.65 -27.46 40.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.483 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 9.5 m-85 -111.78 167.86 10.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -131.7 121.11 23.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 85.6 m -83.82 127.87 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 102' ' ' LEU . 25.2 p90 -131.0 147.29 52.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.82 142.85 33.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' A' ' 64' ' ' HIS . 1.3 t -125.37 109.53 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.613 ' HG3' HG13 ' A' ' 97' ' ' VAL . 27.5 tt0 -86.47 91.19 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.477 HD11 HD12 ' A' ' 65' ' ' ILE . 59.5 mt -78.86 154.61 29.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 22' ' ' VAL . 9.2 p -116.59 129.43 73.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -99.09 104.62 16.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' N ' ' HB3' ' A' ' 27' ' ' GLN . 52.4 mttt -59.72 -179.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.61 89.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 79.18 36.28 27.95 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.443 ' HB3' ' N ' ' A' ' 24' ' ' LYS . 6.5 tp60 -103.31 122.37 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.93 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 m -80.43 168.71 18.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.579 ' CD2' HD22 ' A' ' 91' ' ' LEU . 11.1 tp -61.8 -62.89 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.11 48.34 5.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.527 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.7 mt -131.62 110.71 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.345 . . . . 0.0 111.113 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.519 ' HG2' HD11 ' A' ' 54' ' ' ILE . 16.2 mmm180 -84.68 131.26 34.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.5 pt -110.85 175.96 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.3 p -156.76 143.44 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.45 115.4 4.71 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -98.55 155.81 17.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.926 0.393 . . . . 0.0 110.924 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.6 m -128.4 -27.57 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.35 140.13 0.33 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t -123.57 32.45 5.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.783 0.325 . . . . 0.0 111.124 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.1 t -145.75 145.86 31.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -73.9 -55.57 6.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.0 p -70.53 128.56 36.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.29 77.49 0.2 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.451 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -59.18 151.73 22.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.66 24.45 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 p -84.7 131.77 34.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.53 -171.01 31.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 mm -96.96 123.49 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.442 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 81.1 m-85 -123.67 153.64 40.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.2 t -75.92 105.56 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -70.01 -41.85 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -159.2 169.73 23.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.51 HG21 ' HA ' ' A' ' 66' ' ' GLN . 53.8 t -131.59 98.97 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.6 mp -52.31 123.06 27.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.63 0.728 . . . . 0.0 111.128 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 154.54 67.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.33 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.19 14.43 80.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.4 p -112.11 179.15 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.841 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.02 79.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.46 -47.6 78.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -67.8 -41.48 83.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -59.02 -47.07 86.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.429 ' ND2' HG12 ' A' ' 19' ' ' VAL . 32.4 t30 -58.42 -57.95 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.52 28.84 18.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.503 ' HB2' HG11 ' A' ' 19' ' ' VAL . 13.2 m170 -116.83 -40.57 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.477 HD12 HD11 ' A' ' 21' ' ' LEU . 22.2 mt -95.28 114.52 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.51 ' HA ' HG21 ' A' ' 53' ' ' VAL . 2.9 mp0 -130.45 -175.1 3.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 33.1 m -67.42 174.37 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 57.85 29.87 18.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -120.03 146.78 45.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 11.1 ttpt -107.56 145.83 32.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.605 ' CG2' HD11 ' A' ' 79' ' ' ILE . 4.1 mp -111.71 145.33 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 m -124.4 -27.2 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -154.33 147.7 24.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.599 HG11 HD23 ' A' ' 91' ' ' LEU . 86.7 t -130.09 116.07 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.7 t70 63.31 28.61 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.34 10.14 68.71 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.9 t -108.74 120.13 59.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -68.97 91.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.605 HD11 ' CG2' ' A' ' 71' ' ' ILE . 8.0 pt -83.42 14.94 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -58.8 96.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.01 -10.28 31.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 4.1 m-85 -62.0 132.68 53.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.82 151.99 32.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 88' ' ' VAL . 5.2 m120 -38.65 -50.78 1.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 86' ' ' ASP . 12.9 p-80 -69.8 -45.14 68.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.655 ' O ' HG23 ' A' ' 90' ' ' VAL . 32.1 m-20 -50.94 -31.14 16.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.5 t -80.35 -38.43 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 84' ' ' ASN . 75.6 t -54.27 -55.46 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 5.9 pt-20 -53.6 -34.91 60.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 86' ' ' ASP . 59.0 t -61.59 -44.39 98.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.599 HD23 HG11 ' A' ' 74' ' ' VAL . 18.1 mt -60.95 -43.0 99.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -63.18 -40.13 96.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -62.38 -37.69 86.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.12 147.53 24.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.39 -153.92 30.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -52.23 -58.98 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.613 HG13 ' HG3' ' A' ' 20' ' ' GLU . 85.7 t -73.7 102.02 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 55.0 t -108.02 108.01 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -92.13 99.51 12.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.615 HD12 ' CD1' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -90.22 115.57 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.0 m -91.44 114.25 26.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.615 ' CD1' HD12 ' A' ' 100' ' ' LEU . 2.1 mp -122.77 156.95 33.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 2.9 p -119.64 116.95 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -98.84 160.94 13.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -91.89 117.1 29.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -64.76 164.6 11.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.2 m -161.86 148.12 13.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 m -39.28 109.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.472 ' OG ' HG22 ' A' ' 111' ' ' THR . 61.9 p -167.62 -179.09 4.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.1 m -44.81 -42.41 7.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.472 HG22 ' OG ' ' A' ' 109' ' ' SER . 4.8 t -68.37 179.79 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 80.6 p -55.24 136.93 68.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.667 0.746 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -177.25 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.312 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.642 HD22 HD12 ' A' ' 13' ' ' LEU . 28.3 mt -81.67 -31.99 31.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -134.12 71.3 73.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.01 19.89 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 5.47 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.241 . . . . 0.0 112.35 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 119' ' ' ASP . 8.3 t -53.35 168.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 118' ' ' SER . 0.4 OUTLIER -34.51 148.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -79.28 -69.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.26 -113.04 4.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.458 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 41.5 p -123.25 171.22 9.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 111.108 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 35.3 m -147.62 174.43 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.6 m -161.19 156.52 24.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -102.44 123.65 7.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.447 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.0 t -174.22 165.83 4.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.6 m -113.9 -52.86 2.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.9 p -89.36 167.69 12.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -121.6 166.64 13.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.46 97.23 0.11 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 t -158.21 140.84 14.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.919 0.39 . . . . 0.0 110.82 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -115.92 131.87 56.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.18 -162.21 26.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.97 -175.46 15.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 m -114.04 -179.42 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.363 . . . . 0.0 110.882 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.531 ' OD1' HD11 ' A' ' 13' ' ' LEU . 27.9 t70 -84.9 44.39 1.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.3 t -89.92 -58.5 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.9 p -113.67 82.75 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.655 HD22 ' N ' ' A' ' 13' ' ' LEU . 1.4 mm? -79.0 -24.74 43.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.467 ' HB3' HG22 ' A' ' 103' ' ' VAL . 12.0 m-85 -106.14 172.85 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -136.2 126.63 26.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -96.16 136.66 36.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 102' ' ' LEU . 27.0 p90 -139.49 143.32 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -96.01 131.15 42.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.513 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.5 t -118.75 115.1 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.512 ' HG3' HG13 ' A' ' 97' ' ' VAL . 11.3 tt0 -90.92 98.07 11.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.923 HD11 ' CD1' ' A' ' 65' ' ' ILE . 59.1 mt -88.28 140.43 29.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.4 p -105.64 145.19 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -111.9 100.87 9.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -47.86 175.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -56.88 95.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.48 39.93 29.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.455 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -111.47 145.59 38.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.5 m -92.88 -179.23 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.559 ' CD2' HD22 ' A' ' 91' ' ' LEU . 10.0 tp -74.57 -69.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.11 47.1 3.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.7 mt -128.31 118.81 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.115 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.442 ' HG2' HD11 ' A' ' 54' ' ' ILE . 12.9 mmm180 -90.95 126.98 36.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.3 pt -110.71 169.95 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -151.9 140.75 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.0 99.52 1.54 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.505 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -83.97 151.03 25.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.924 0.392 . . . . 0.0 110.885 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 38' ' ' GLY . 27.6 m -129.69 -29.28 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.099 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.453 ' HA3' ' CE1' ' A' ' 41' ' ' HIS . . . -35.28 115.2 0.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.513 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 40' ' ' SER . 9.8 t -118.75 -41.7 2.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.798 0.332 . . . . 0.0 111.13 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.413 ' N ' HG23 ' A' ' 39' ' ' THR . 5.3 t -72.13 -57.07 4.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.453 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 12.9 p-80 -40.67 140.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.412 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 13.0 t -40.26 141.99 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 63.81 73.22 0.57 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -41.9 122.77 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -126.87 106.98 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.1 p -147.5 132.48 18.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.86 -172.82 21.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.7 mm -94.51 124.76 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.533 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 96.7 m-85 -129.67 147.58 51.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.1 t -70.87 94.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -58.47 -42.46 87.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 m -161.28 172.75 16.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 66' ' ' GLN . 97.2 t -130.08 105.73 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.461 ' H ' HD12 ' A' ' 54' ' ' ILE . 3.6 mp -57.55 130.22 81.25 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.613 0.72 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 160.05 51.18 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.332 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.14 27.84 60.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 p -121.87 162.21 21.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -43.72 -55.66 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.31 -53.49 17.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -59.71 -46.08 90.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -50.35 -60.32 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.874 HD22 HD23 ' A' ' 21' ' ' LEU . 11.6 t-20 -59.14 -34.33 71.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.03 34.16 88.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.513 ' HB2' HG11 ' A' ' 19' ' ' VAL . 11.7 m-70 -111.01 -39.25 4.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.318 . . . . 0.0 110.803 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.923 ' CD1' HD11 ' A' ' 21' ' ' LEU . 17.1 mt -93.26 107.34 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.432 ' HA ' HG21 ' A' ' 53' ' ' VAL . 14.4 mp0 -126.7 170.37 12.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.4 m -55.27 174.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 61.11 34.61 18.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -128.13 146.49 50.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.533 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 2.4 ttpt -107.45 115.2 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.575 HG23 HD11 ' A' ' 100' ' ' LEU . 18.7 mt -82.88 124.11 39.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.9 m -108.98 -24.9 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' A' ' 101' ' ' THR . . . -154.46 144.22 21.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.613 HG11 HD23 ' A' ' 91' ' ' LEU . 61.5 t -127.5 118.71 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 t70 61.25 33.97 18.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.32 23.24 63.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.442 ' O ' HG23 ' A' ' 79' ' ' ILE . 73.0 t -120.3 113.91 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.843 0.354 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -62.26 88.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.557 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.6 pt -84.34 17.04 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -58.16 96.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.41 -18.23 20.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 5.8 m-85 -51.9 129.8 27.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -65.64 154.68 38.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 83' ' ' ALA . 13.1 t-20 -34.57 -69.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -56.58 -38.36 71.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -57.02 -29.16 63.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.0 t -84.53 -37.61 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.491 ' HA ' HD12 ' A' ' 91' ' ' LEU . 90.9 t -56.88 -51.95 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -53.71 -41.8 67.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.73 -43.23 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.613 HD23 HG11 ' A' ' 74' ' ' VAL . 14.5 mt -63.34 -47.98 79.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -58.24 -43.36 87.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -61.18 -39.51 90.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.629 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -46.25 149.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.14 -148.64 22.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -59.31 -58.12 10.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.512 HG13 ' HG3' ' A' ' 20' ' ' GLU . 90.4 t -78.13 98.68 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.629 HG22 ' HB1' ' A' ' 94' ' ' ALA . 98.8 t -109.22 102.47 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.409 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 11.8 m80 -89.04 102.59 15.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.575 HD11 HG23 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -88.55 135.38 33.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.546 ' HB ' ' HB3' ' A' ' 73' ' ' ALA . 26.5 m -109.76 106.22 15.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.579 HD21 HG23 ' A' ' 65' ' ' ILE . 0.7 OUTLIER -117.43 158.49 24.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.467 HG22 ' HB3' ' A' ' 14' ' ' PHE . 2.6 p -141.54 109.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -107.34 152.66 23.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.7 ttt85 -65.37 125.3 24.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 13.4 mttm -61.19 -178.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.5 m -89.03 121.09 31.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.5 p -58.78 163.34 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 89.1 p -100.6 103.04 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.813 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.3 t -97.65 129.81 44.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.1 m -79.28 95.71 5.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 55.9 p -51.46 112.8 3.37 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.646 0.736 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -166.39 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.561 HD12 ' HB2' ' A' ' 115' ' ' GLU . 2.9 pp -82.67 -39.25 22.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.561 ' HB2' HD12 ' A' ' 114' ' ' LEU . 36.6 tt0 -131.86 69.71 80.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.618 0.723 . . . . 0.0 110.846 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 140.54 43.0 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 110.68 2.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.5 p -122.53 155.17 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -147.52 152.79 38.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -59.37 158.39 9.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 162.48 136.12 1.94 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 9.5 t -169.6 152.02 4.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 91.0 t -127.06 137.14 58.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 57.2 p -91.24 174.29 7.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -171.82 97.07 0.11 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 125.82 12.57 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 37.1 t -119.48 87.15 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 59.4 p -86.06 124.17 32.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.475 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -76.07 142.43 41.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m -96.21 -56.3 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.29 63.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -173.46 122.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.877 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -107.8 139.18 42.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.01 -78.34 1.4 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.519 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.404 ' H ' ' CG ' ' A' ' 116' ' ' PRO . . . -53.74 -169.89 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.48 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.7 t -145.51 113.63 6.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.84 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 41.47 40.82 1.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.0 m -76.14 -64.28 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.8 m -102.72 85.63 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.7 mm? -64.82 -34.1 77.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.462 ' CD2' ' HA ' ' A' ' 105' ' ' ARG . 5.3 m-85 -107.51 169.27 8.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -131.95 134.83 46.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.2 m -95.9 147.41 23.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 104' ' ' ARG . 40.9 p90 -153.28 149.8 28.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.36 130.33 47.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.711 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.3 t -112.94 118.01 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.814 ' HG3' HG13 ' A' ' 97' ' ' VAL . 14.7 tt0 -94.82 93.44 7.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.723 HD21 HD12 ' A' ' 65' ' ' ILE . 52.9 mt -73.66 170.05 16.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 p -132.79 134.62 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -113.15 106.65 14.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -51.8 -175.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -81.62 46.49 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 152.84 34.82 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.533 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.429 ' HG2' ' N ' ' A' ' 28' ' ' SER . 17.6 tt0 -130.75 155.5 46.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.429 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 1.8 t -110.28 178.97 4.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.496 ' HG ' HD12 ' A' ' 31' ' ' ILE . 9.6 tp -67.96 -53.95 22.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.73 50.42 24.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.62 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 78.6 mt -134.92 102.74 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.136 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.1 mmm-85 -78.67 137.58 37.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.0 pt -111.49 168.89 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 p -146.11 144.79 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.63 110.26 3.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -90.76 148.64 22.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.94 0.4 . . . . 0.0 110.896 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.2 t -123.83 -23.07 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.81 137.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.2 t -134.07 174.55 10.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.749 0.309 . . . . 0.0 111.146 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 t -47.77 -51.87 20.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -40.35 154.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.9 p -46.77 169.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.63 74.51 0.41 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -94.75 124.62 38.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.916 0.388 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -163.94 140.45 6.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.1 m -139.22 146.06 40.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 136.0 -154.91 22.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.3 mm -112.33 129.79 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.563 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 13.7 m-85 -133.89 154.87 50.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.51 117.62 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -80.53 -47.65 13.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.0 p -149.15 168.77 22.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.804 HG21 ' HA ' ' A' ' 66' ' ' GLN . 88.7 t -134.69 78.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.812 ' H ' HD12 ' A' ' 54' ' ' ILE . 5.1 mp -37.48 130.15 0.85 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.742 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 163.96 36.33 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.366 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.94 22.29 59.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 p -116.94 166.46 12.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.83 -43.39 59.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.62 ' HB2' ' CG1' ' A' ' 31' ' ' ILE . . . -60.16 -57.07 14.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -56.77 -44.12 81.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -63.38 -45.71 89.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.422 ' ND2' HD23 ' A' ' 21' ' ' LEU . 13.3 t30 -57.92 -57.72 11.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.87 26.56 37.34 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.711 ' HB2' HG11 ' A' ' 19' ' ' VAL . 74.7 m-70 -119.89 -26.86 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.754 0.312 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.723 HD12 HD21 ' A' ' 21' ' ' LEU . 16.4 mt -114.56 100.24 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.804 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -129.43 176.43 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.467 ' O ' ' CG ' ' A' ' 68' ' ' ASN . 30.7 m -50.54 178.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.467 ' CG ' ' O ' ' A' ' 67' ' ' VAL . 18.9 p30 49.06 35.16 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -124.06 139.75 53.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.563 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.0 ttpt -103.42 136.08 43.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.541 HG12 HD11 ' A' ' 100' ' ' LEU . 20.8 mt -106.8 139.72 27.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.45 ' CG2' HG22 ' A' ' 101' ' ' THR . 3.4 m -120.67 -20.52 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.51 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -160.76 148.26 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.89 HG11 HD23 ' A' ' 91' ' ' LEU . 55.7 t -130.93 123.81 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 t0 59.81 29.68 19.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.24 22.03 61.53 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.507 ' O ' HG23 ' A' ' 79' ' ' ILE . 69.5 t -119.77 115.33 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.373 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -59.93 96.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.537 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 5.9 pt -91.78 17.65 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -59.73 93.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 115.89 -17.46 15.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.537 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 5.0 m-85 -50.92 131.62 26.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.654 ' HB3' ' OD2' ' A' ' 86' ' ' ASP . . . -65.74 157.29 30.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.439 ' O ' HG23 ' A' ' 88' ' ' VAL . 26.0 t-20 -36.83 -65.38 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -59.17 -43.97 92.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.654 ' OD2' ' HB3' ' A' ' 83' ' ' ALA . 49.5 m-20 -50.36 -32.18 16.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.2 t -84.32 -42.46 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 84' ' ' ASN . 94.6 t -54.65 -43.47 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 10.4 pt-20 -63.75 -35.48 80.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 86' ' ' ASP . 95.3 t -63.1 -43.63 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.89 HD23 HG11 ' A' ' 74' ' ' VAL . 44.3 mt -63.64 -44.17 94.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.964 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.7 mtp-105 -60.69 -39.66 89.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -63.35 -40.1 96.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.543 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -50.38 160.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.092 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 98' ' ' VAL . . . -114.45 -158.7 12.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -43.39 -53.92 5.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.814 HG13 ' HG3' ' A' ' 20' ' ' GLU . 86.6 t -84.9 103.47 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.543 HG22 ' HB1' ' A' ' 94' ' ' ALA . 98.1 t -111.46 104.37 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 9.5 m80 -86.59 95.68 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.671 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -84.74 130.26 34.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.51 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . 10.6 m -104.98 111.62 24.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.671 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -128.05 161.05 30.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.433 HG22 ' HB3' ' A' ' 14' ' ' PHE . 2.8 p -134.15 110.75 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.46 ' HD3' ' CE1' ' A' ' 17' ' ' TYR . 9.9 ptt180 -104.49 147.83 27.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.486 ' HD2' ' N ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -62.54 138.37 58.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.486 ' N ' ' HD2' ' A' ' 105' ' ' ARG . 29.6 mttt -75.66 -174.73 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 24.0 p -142.83 179.01 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 65.8 p -41.16 -50.85 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.8 p -73.35 166.69 22.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.7 t 63.66 46.31 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.1 t -53.97 148.71 10.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.2 m -44.68 156.82 0.34 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.694 0.759 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -174.06 0.83 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.686 2.257 . . . . 0.0 112.41 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.442 ' CD1' ' HG2' ' A' ' 115' ' ' GLU . 4.1 pp -76.49 -28.8 56.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.442 ' HG2' ' CD1' ' A' ' 114' ' ' LEU . 5.1 pt-20 -134.12 69.11 74.5 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.607 0.718 . . . . 0.0 110.843 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.404 ' CG ' ' H ' ' A' ' 8' ' ' GLY . 54.1 Cg_endo -69.76 156.98 61.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.263 . . . . 0.0 112.37 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 90.99 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.1 p -47.2 149.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -170.46 146.45 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -130.86 149.67 52.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.822 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 143.16 65.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.4 t -131.11 129.28 41.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 111.116 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 92.2 t -146.19 121.35 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.5 t -148.81 153.58 38.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -135.04 167.52 24.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 145.91 58.87 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.734 2.289 . . . . 0.0 112.319 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.2 t -66.34 81.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 18.3 t -67.59 173.41 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.797 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 m -65.81 -53.23 42.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.839 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 t -155.61 141.62 18.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.0 83.63 0.64 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -97.54 141.29 30.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 m -71.94 -53.48 12.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.7 -97.64 0.14 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.16 106.97 0.23 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.8 p -137.13 152.13 49.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.825 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -78.84 96.9 5.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 12' ' ' SER . 4.7 t -137.76 148.76 45.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' SER . 13.2 m 34.94 53.95 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.8 mm? -58.2 -26.92 63.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CD2' ' HA ' ' A' ' 105' ' ' ARG . 5.8 m-85 -114.52 169.33 9.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -130.03 137.98 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 m -101.59 141.49 34.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -145.16 147.52 32.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -99.95 140.91 33.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.0 t -123.63 118.0 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.527 ' HG2' HG13 ' A' ' 97' ' ' VAL . 3.4 tm-20 -92.21 100.69 13.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.736 HD11 ' CD1' ' A' ' 65' ' ' ILE . 47.7 mt -90.48 147.93 23.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -109.6 134.43 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -103.16 106.29 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -53.13 178.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -67.93 74.41 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.75 44.62 1.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -124.52 140.62 52.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 29' ' ' LEU . 1.1 t -95.25 146.09 24.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.522 HD11 HD12 ' A' ' 21' ' ' LEU . 11.8 tp -36.51 -54.14 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.73 47.68 7.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.478 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.538 HD11 ' HB2' ' A' ' 59' ' ' ALA . 70.4 mt -135.2 113.37 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 111.087 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HG2' HD11 ' A' ' 54' ' ' ILE . 18.8 mmm-85 -82.08 135.34 35.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.8 pt -110.89 169.95 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 p -148.34 157.14 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.92 132.91 11.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -130.09 149.02 51.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 110.931 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.7 m -125.49 -22.76 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.47 145.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 t -98.56 169.09 9.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 111.13 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.6 t -53.84 97.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -157.64 -178.21 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.5 p -79.78 95.83 6.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 51.32 64.62 3.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -83.32 143.31 30.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.11 131.12 7.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.2 p -160.69 125.52 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.87 -146.59 17.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.442 HG13 HG21 ' A' ' 87' ' ' VAL . 25.0 mm -109.31 124.12 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.887 0.375 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.585 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 43.6 m-85 -124.84 168.24 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.0 t -87.79 98.65 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -46.41 81.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.8 m -159.31 169.36 24.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.503 HG21 ' HA ' ' A' ' 66' ' ' GLN . 83.3 t -127.37 109.92 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.1 mp -63.46 124.57 84.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.624 0.726 . . . . 0.0 111.164 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 147.18 62.64 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.719 2.279 . . . . 0.0 112.38 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.3 14.65 81.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.1 p -110.69 176.09 5.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.73 -42.61 79.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.538 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -62.78 -55.84 22.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -62.27 -33.58 74.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -68.29 -36.64 79.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.432 ' ND2' ' CG1' ' A' ' 19' ' ' VAL . 36.5 t30 -68.03 -68.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.31 18.16 12.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.541 ' HB2' HG11 ' A' ' 19' ' ' VAL . 10.6 m170 -110.23 -39.67 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.736 ' CD1' HD11 ' A' ' 21' ' ' LEU . 33.1 mt -94.2 117.44 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.503 ' HA ' HG21 ' A' ' 53' ' ' VAL . 7.5 mp0 -138.34 173.88 11.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.31 168.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 63.94 30.06 14.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -120.52 138.49 53.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.585 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -100.79 123.08 44.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 75.1 mt -88.57 140.32 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.443 HG12 ' CD ' ' A' ' 80' ' ' GLN . 2.0 m -120.2 -33.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.54 150.14 32.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.5 HG11 HD23 ' A' ' 91' ' ' LEU . 42.7 t -134.68 110.25 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 t70 67.84 29.4 6.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.31 0.47 84.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.2 t -97.41 113.94 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -66.28 101.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 81' ' ' GLY . 6.1 pt -95.69 13.38 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.443 ' CD ' HG12 ' A' ' 72' ' ' VAL . 13.4 mm100 -60.18 76.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 128.89 15.76 2.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -88.99 146.68 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -76.91 146.66 37.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.668 ' O ' HG23 ' A' ' 88' ' ' VAL . 8.1 m120 -35.25 -47.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.403 ' NE2' ' HB3' ' A' ' 83' ' ' ALA . 7.0 p-80 -69.15 -44.17 72.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.651 ' O ' HG23 ' A' ' 90' ' ' VAL . 27.9 m-20 -58.32 -26.83 63.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.442 HG21 HG13 ' A' ' 48' ' ' ILE . 86.4 t -84.07 -32.7 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 84' ' ' ASN . 83.8 t -60.89 -47.89 91.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -61.4 -33.51 73.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 86' ' ' ASP . 74.9 t -62.28 -44.97 99.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.5 HD23 HG11 ' A' ' 74' ' ' VAL . 12.5 mt -63.6 -44.38 94.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -62.94 -42.48 99.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -63.3 -31.11 72.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.415 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -59.24 145.55 42.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.05 -157.29 33.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.539 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -52.88 -61.53 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 0.0 110.925 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.527 HG13 ' HG2' ' A' ' 20' ' ' GLU . 89.6 t -73.01 99.18 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.415 HG22 ' HB1' ' A' ' 94' ' ' ALA . 98.6 t -107.05 113.82 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.421 ' NE2' ' HB2' ' A' ' 20' ' ' GLU . 6.6 m80 -96.82 96.79 8.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.32 126.4 33.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.8 m -100.79 115.67 30.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.658 HD12 ' N ' ' A' ' 102' ' ' LEU . 0.8 OUTLIER -125.73 155.4 41.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.8 p -127.7 112.78 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -107.46 143.8 35.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.529 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 2.1 tmt_? -66.27 137.55 57.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -80.15 -176.0 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.1 p -86.67 167.98 14.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 m -41.49 -44.76 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 90.5 p -70.32 138.76 51.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.8 m -150.06 127.63 11.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.8 m -58.53 139.64 55.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.6 m -77.48 115.9 53.36 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.682 0.753 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 178.09 4.94 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.341 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 mp -95.46 -48.08 6.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -132.57 68.93 79.74 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 153.31 69.23 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 172.41 12.63 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.1 t -142.21 111.55 6.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -170.56 154.22 4.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.01 158.72 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -109.13 -95.77 2.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.533 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 63.6 p -119.21 154.07 33.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.837 0.351 . . . . 0.0 111.098 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 123' ' ' VAL . 6.4 p -120.39 41.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.6 t -48.77 -59.01 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 114.22 122.23 3.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 173.07 11.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 53.6 p -156.48 118.67 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 35.4 t -162.65 149.19 12.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 m -99.2 143.81 29.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -148.45 166.2 28.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.54 161.72 16.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 p -123.49 137.14 54.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.898 0.38 . . . . 0.0 110.82 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 p -85.79 173.63 9.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.5 123.95 1.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.77 101.33 2.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.2 p -164.71 125.26 2.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.854 0.359 . . . . 0.0 110.87 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -74.57 73.48 1.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 t -102.84 -64.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -98.58 81.38 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.8 mm? -68.15 -27.78 66.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.546 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 4.3 m-85 -107.11 174.88 5.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -128.17 117.97 22.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.1 m -93.39 135.08 34.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -146.39 151.51 37.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.48 129.79 53.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.419 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.1 t -110.07 113.84 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.637 ' HG3' HG13 ' A' ' 97' ' ' VAL . 9.8 tt0 -90.78 92.26 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.675 HD11 ' CD1' ' A' ' 65' ' ' ILE . 66.7 mt -81.21 151.81 27.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -114.8 133.2 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.6 mtm180 -100.76 102.05 13.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 26' ' ' GLY . 32.9 mttm -59.56 170.9 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 25' ' ' ASP . 14.3 p-10 -51.51 86.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 105.36 -35.79 4.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -51.99 129.49 27.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.5 p -96.09 171.21 8.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' HG ' HD12 ' A' ' 31' ' ' ILE . 11.1 tp -53.42 -54.64 34.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.451 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 74.68 50.05 9.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.509 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 77.3 mt -134.86 120.54 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 111.138 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.4 mmt-85 -94.95 128.52 41.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.444 HD13 ' CG1' ' A' ' 87' ' ' VAL . 6.6 pt -108.35 170.02 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 p -147.95 148.54 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.8 106.6 2.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -96.15 130.71 43.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.94 0.4 . . . . 0.0 110.924 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.4 t -101.38 -31.33 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.69 -135.54 20.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.44 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.0 t -134.38 162.21 32.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 111.167 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 t -39.13 -54.45 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -70.99 168.39 17.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.1 p -88.69 49.88 1.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.16 -64.13 0.55 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.6 176.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.36 130.67 34.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.05 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.6 p -137.43 112.72 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.2 -174.84 31.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.7 mm -85.97 137.95 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.542 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 61.4 m-85 -143.9 149.02 36.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 65.1 t -73.55 99.42 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -61.37 -41.84 97.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -161.96 176.33 10.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.3 t -142.1 111.33 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.6 mp -59.73 137.19 90.01 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.75 162.81 40.62 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.67 2.247 . . . . 0.0 112.356 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 52.23 20.36 6.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.0 p -104.91 165.41 11.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.809 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.41 -49.29 35.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.509 ' HB2' ' CG1' ' A' ' 31' ' ' ILE . . . -58.43 -55.98 28.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -53.16 -61.79 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -45.43 -54.24 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.418 ' ND2' HD23 ' A' ' 21' ' ' LEU . 26.5 t30 -45.7 -61.12 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.73 19.93 49.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.419 ' HB2' HG11 ' A' ' 19' ' ' VAL . 70.6 m-70 -108.39 -36.17 6.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.748 0.308 . . . . 0.0 110.832 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.675 ' CD1' HD11 ' A' ' 21' ' ' LEU . 21.9 mt -99.15 117.79 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -128.53 169.51 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.1 m -65.51 176.14 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 60.61 32.04 20.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -120.13 161.72 20.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.542 ' HG2' ' CZ ' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -120.29 122.26 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.548 HG12 HD11 ' A' ' 100' ' ' LEU . 22.3 mt -90.96 134.99 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.36 -24.47 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.407 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -154.88 140.66 18.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.722 HG11 HD23 ' A' ' 91' ' ' LEU . 89.7 t -122.37 123.02 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t0 59.81 29.34 18.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.16 19.47 62.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.539 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 79' ' ' ILE . 82.2 t -118.32 116.29 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -60.83 94.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.543 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 7.0 pt -89.43 14.31 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -56.43 92.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.54 -22.58 10.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 4.5 m-85 -47.44 130.16 13.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -63.04 152.75 36.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 83' ' ' ALA . 10.6 t-20 -34.5 -66.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.431 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 51.7 p-80 -57.28 -47.99 80.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 23.5 m-20 -47.49 -27.46 1.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.444 ' CG1' HD13 ' A' ' 33' ' ' ILE . 71.0 t -86.52 -32.15 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.29 -50.38 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.36 -38.35 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.12 -48.62 86.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.722 HD23 HG11 ' A' ' 74' ' ' VAL . 18.1 mt -58.6 -42.05 87.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 71.0 mtp85 -63.43 -38.44 91.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -64.56 -38.61 91.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.33 145.69 31.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.67 -159.13 28.73 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -41.48 -53.85 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.637 HG13 ' HG3' ' A' ' 20' ' ' GLU . 85.1 t -79.35 107.14 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.443 HG21 HD13 ' A' ' 29' ' ' LEU . 71.9 t -114.71 101.65 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.493 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 9.1 m80 -86.16 94.64 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.59 HD12 HD11 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -85.72 119.15 25.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.407 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . 17.3 m -94.78 114.55 26.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.59 HD11 HD12 ' A' ' 100' ' ' LEU . 4.2 mp -119.06 168.24 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.3 p -151.51 111.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -111.08 147.25 35.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.546 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 2.5 ttm-85 -65.64 124.17 21.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.435 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 11.4 mttm -64.21 -46.37 84.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 106' ' ' LYS . 79.5 m -37.31 125.06 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.8 m -105.19 136.19 45.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.3 t -87.04 145.18 26.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 57.8 m -101.91 -49.83 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.4 t -46.99 150.0 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.7 t -42.64 110.46 0.86 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.64 0.734 . . . . 0.0 110.829 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -165.57 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.9 mp -78.79 -41.12 31.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -133.84 73.73 70.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 145.8 58.48 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 118' ' ' SER . 53.7 Cg_endo -69.74 -178.18 2.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.712 2.275 . . . . 0.0 112.317 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 117' ' ' PRO . 74.8 p 34.6 45.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -144.3 130.64 19.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -79.39 153.31 29.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -71.79 -179.13 31.71 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 123' ' ' VAL . 13.9 t -85.25 140.3 30.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 111.14 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 122' ' ' THR . 35.8 m 37.15 45.19 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.158 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.1 t -52.94 -40.72 63.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -68.48 164.02 48.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.449 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 127' ' ' SER . 53.8 Cg_endo -69.77 2.82 3.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.639 2.226 . . . . 0.0 112.371 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 126' ' ' PRO . 39.9 t -34.45 -58.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 24.4 p -82.85 122.61 28.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -126.84 162.76 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.84 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.4 p -140.92 172.8 12.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.84 -72.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -96.66 151.08 19.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.934 0.397 . . . . 0.0 110.832 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -97.34 163.58 12.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.75 167.59 12.49 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.38 -146.58 45.99 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.47 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.3 m -63.29 94.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.41 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -90.2 94.56 9.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 12' ' ' SER . 2.3 m -127.54 146.42 50.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.817 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 14' ' ' PHE . 11.4 m 34.39 51.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.862 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 21.1 mt -37.15 -28.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 12' ' ' SER . 20.3 m-85 -105.96 150.18 25.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -121.16 144.18 48.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.4 m -105.52 150.02 25.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -149.54 153.42 37.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -99.29 131.35 45.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.609 ' HB ' HD11 ' A' ' 65' ' ' ILE . 1.0 OUTLIER -115.6 112.29 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.705 ' HG3' HG13 ' A' ' 97' ' ' VAL . 13.5 tt0 -92.47 89.96 6.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.659 HD11 HD12 ' A' ' 65' ' ' ILE . 39.1 mt -80.54 142.59 34.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 p -106.38 134.88 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -112.49 112.0 23.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -52.77 -178.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.3 85.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.73 38.37 3.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.47 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -119.04 129.47 55.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.918 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.7 m -77.76 154.88 31.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.741 HD21 HD12 ' A' ' 31' ' ' ILE . 17.3 tp -47.51 -66.87 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.465 ' HA3' ' CB ' ' A' ' 57' ' ' SER . . . 93.96 50.57 2.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.741 HD12 HD21 ' A' ' 29' ' ' LEU . 76.5 mt -137.3 105.46 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 111.159 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.593 ' HG2' HD11 ' A' ' 54' ' ' ILE . 2.4 mmp_? -77.42 134.07 38.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.564 HD13 ' CG1' ' A' ' 87' ' ' VAL . 13.9 pt -117.35 166.14 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.5 p -143.33 150.44 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.63 100.33 1.78 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -85.18 160.13 19.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.96 0.41 . . . . 0.0 110.935 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.3 t -129.01 -30.82 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.138 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.68 78.73 0.81 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.3 t -69.97 159.62 33.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.77 0.319 . . . . 0.0 111.178 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.9 t -41.74 -53.24 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' THR . 4.2 t-160 -43.9 149.07 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' HIS . 58.2 p -35.58 126.05 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 44' ' ' GLU . . . 165.81 -56.42 0.25 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 43' ' ' GLY . 4.1 mm-40 33.44 45.52 0.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.846 0.355 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.53 98.97 5.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 84.2 p -116.09 128.55 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.31 -177.05 30.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.8 mm -89.94 127.26 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.547 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 84.9 m-85 -126.45 158.1 36.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.652 HG23 HD11 ' A' ' 71' ' ' ILE . 75.7 t -78.19 98.38 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.161 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -61.9 -38.06 86.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -162.26 173.25 14.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 66' ' ' GLN . 92.5 t -133.46 89.01 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.765 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.2 mp -44.81 129.28 5.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.617 0.723 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 163.45 38.25 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.12 22.12 41.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.465 ' CB ' ' HA3' ' A' ' 30' ' ' GLY . 8.0 p -112.51 162.36 15.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.829 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.67 -39.98 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.512 ' HA ' HD22 ' A' ' 21' ' ' LEU . . . -64.79 -56.9 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -56.19 -48.96 75.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -48.4 -55.98 9.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.448 ' ND2' HG12 ' A' ' 19' ' ' VAL . 24.9 t30 -50.59 -63.46 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.55 22.47 21.46 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.401 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 16.0 m170 -110.51 -38.71 5.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.7 0.286 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.659 HD12 HD11 ' A' ' 21' ' ' LEU . 37.7 mt -95.4 121.89 46.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.698 ' HA ' HG21 ' A' ' 53' ' ' VAL . 9.0 mp0 -142.07 178.87 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.1 m -63.48 169.21 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 68.44 30.76 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.77 158.67 34.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.547 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 1.4 ttpp -118.53 113.27 21.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.652 HD11 HG23 ' A' ' 50' ' ' VAL . 5.4 mp -83.19 119.82 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 101' ' ' THR . 3.7 m -100.94 -24.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.544 ' HB3' ' OG1' ' A' ' 101' ' ' THR . . . -153.82 137.25 15.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.026 HG11 HD23 ' A' ' 91' ' ' LEU . 64.0 t -119.21 121.71 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 99' ' ' HIS . 7.5 t70 59.37 31.58 21.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.99 17.64 69.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.4 t -113.19 112.7 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -64.02 96.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' GLY . 8.2 pt -88.93 13.04 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -62.69 77.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 140.31 -3.76 2.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.519 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -77.12 -174.81 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.364 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.632 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -122.0 171.09 9.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.59 ' O ' HG23 ' A' ' 88' ' ' VAL . 22.9 t-20 -47.69 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -56.15 -45.74 79.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.522 ' O ' HG23 ' A' ' 90' ' ' VAL . 2.8 m-20 -57.78 -31.21 66.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 83' ' ' ALA . 55.9 t -81.76 -32.97 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 84' ' ' ASN . 91.3 t -62.07 -46.6 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 4.7 pt-20 -61.52 -31.98 72.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 86' ' ' ASP . 73.0 t -63.84 -41.66 93.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.026 HD23 HG11 ' A' ' 74' ' ' VAL . 11.0 mt -66.41 -45.54 79.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.7 mtt-85 -59.94 -44.04 94.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -59.79 -35.2 74.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.49 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -56.25 145.03 27.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.99 -158.91 33.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -48.15 -62.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.705 HG13 ' HG3' ' A' ' 20' ' ' GLU . 97.6 t -72.66 99.22 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.49 HG22 ' HB1' ' A' ' 94' ' ' ALA . 85.8 t -107.68 103.55 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' ASP . 8.5 m80 -89.76 107.9 19.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.577 HD11 ' CG2' ' A' ' 71' ' ' ILE . 20.4 tp -93.04 156.34 16.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.544 ' OG1' ' HB3' ' A' ' 73' ' ' ALA . 2.9 m -127.95 98.8 5.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -117.72 148.28 42.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.6 p -128.05 108.71 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -108.42 167.58 9.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -71.54 120.34 16.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.45 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 9.2 mttm -51.0 -46.62 61.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.3 m 68.47 46.55 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 t -41.14 145.35 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 91.8 p -91.75 166.75 12.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.6 m 59.01 43.08 18.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 76.1 p -96.08 159.38 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.086 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 91.3 p -112.7 89.56 13.35 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.673 0.749 . . . . 0.0 110.819 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -166.3 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.649 2.233 . . . . 0.0 112.344 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.7 mt -99.46 -48.21 4.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -134.97 74.23 64.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 125.4 12.07 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.651 2.234 . . . . 0.0 112.345 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 153.33 69.07 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.3 m -116.71 141.68 47.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -149.19 171.39 16.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -89.75 138.2 31.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -136.79 132.22 5.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 54.7 p -99.64 38.78 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 111.139 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.8 p -105.0 145.68 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.4 p -52.1 108.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 129.23 150.07 7.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 140.51 42.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.342 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.0 t -79.27 153.54 29.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.1 m -153.56 155.32 35.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.443 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -142.28 124.62 15.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -157.64 128.05 6.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.92 172.02 29.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.0 t -126.74 122.63 35.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -85.13 161.09 19.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.05 -155.74 18.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.74 75.87 0.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.1 m -122.28 165.77 15.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -78.15 87.18 4.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.0 p -121.59 138.57 54.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.5 m 50.24 53.2 13.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.0 mm? -49.48 -40.55 37.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 2.1 m-85 -104.96 173.59 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.403 ' HB3' ' CE ' ' A' ' 106' ' ' LYS . 2.9 pp20? -135.97 123.59 22.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 m -86.21 143.87 27.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -152.16 146.27 25.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.45 132.26 37.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.614 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.2 t -113.02 109.42 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.476 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 16.5 tt0 -84.26 107.62 16.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.852 HD11 ' CD1' ' A' ' 65' ' ' ILE . 41.2 mt -97.87 143.83 28.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.1 p -105.74 135.24 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -106.27 107.69 18.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -50.42 177.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -70.4 81.96 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.13 41.01 2.51 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -124.11 155.27 38.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.879 0.371 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.2 m -106.85 177.69 4.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.1 tp -66.44 -69.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.11 32.9 8.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.443 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.536 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 75.7 mt -117.84 112.43 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.349 . . . . 0.0 111.098 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -80.93 133.25 35.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.0 pt -113.49 165.39 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.176 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -147.64 143.67 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.6 82.38 0.55 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -57.51 159.25 5.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.943 0.401 . . . . 0.0 110.918 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.4 t -131.02 -34.09 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.19 140.79 0.78 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 41' ' ' HIS . 13.8 t -136.88 176.27 8.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.747 0.308 . . . . 0.0 111.162 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 41' ' ' HIS . 43.5 p -36.11 -42.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 40' ' ' SER . 3.9 t-160 -34.78 114.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.8 t -40.12 140.16 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.38 42.23 8.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.458 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.62 145.92 26.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.68 115.39 5.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.5 t -118.23 139.12 51.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.27 -175.63 22.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.471 HG22 HD13 ' A' ' 71' ' ' ILE . 35.5 mm -85.85 127.93 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 72.5 m-85 -133.54 157.86 44.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.8 t -79.73 102.92 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -67.81 -39.75 83.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.9 m -161.41 168.54 23.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' A' ' 66' ' ' GLN . 72.7 t -132.18 93.91 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.5 mp -43.01 131.32 3.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 160.05 51.16 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.666 2.244 . . . . 0.0 112.384 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.83 28.19 52.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.3 p -115.21 170.39 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.826 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.82 -47.51 73.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.536 ' HB2' ' CG1' ' A' ' 31' ' ' ILE . . . -58.33 -54.24 49.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -57.62 -45.3 85.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -52.83 -58.52 6.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.469 ' ND2' HG12 ' A' ' 19' ' ' VAL . 21.8 t30 -46.89 -59.8 2.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.32 27.77 12.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.614 ' HB2' HG11 ' A' ' 19' ' ' VAL . 13.2 m-70 -118.37 -39.49 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.852 ' CD1' HD11 ' A' ' 21' ' ' LEU . 18.5 mt -91.91 115.09 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.554 ' HA ' HG21 ' A' ' 53' ' ' VAL . 5.8 mp0 -140.93 174.97 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.408 HG23 ' ND2' ' A' ' 68' ' ' ASN . 31.9 m -59.21 165.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.408 ' ND2' HG23 ' A' ' 67' ' ' VAL . 1.6 m-20 67.52 30.85 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -121.74 155.03 36.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 7.9 ttpt -118.39 122.25 42.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.529 ' CG2' HD11 ' A' ' 79' ' ' ILE . 4.9 mp -87.63 132.09 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.599 ' CG2' HG22 ' A' ' 101' ' ' THR . 4.0 m -111.67 -25.71 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -163.8 138.62 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.545 HG11 HD23 ' A' ' 91' ' ' LEU . 83.8 t -111.34 121.7 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.471 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 1.3 p30 53.59 25.23 4.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.56 -20.48 41.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.38 119.13 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.342 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -71.97 94.94 1.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.529 HD11 ' CG2' ' A' ' 71' ' ' ILE . 6.5 pt -88.43 13.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -55.13 91.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.42 -24.59 11.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.5 m-85 -41.85 141.98 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -73.95 156.2 37.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.481 ' O ' HG23 ' A' ' 88' ' ' VAL . 12.0 t-20 -36.49 -58.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -65.21 -44.15 89.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.689 ' O ' HG23 ' A' ' 90' ' ' VAL . 8.0 t0 -51.54 -28.37 13.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.2 t -86.57 -38.79 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 84' ' ' ASN . 90.5 t -57.24 -45.56 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -62.78 -38.71 91.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 86' ' ' ASP . 98.7 t -59.59 -42.4 88.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.545 HD23 HG11 ' A' ' 74' ' ' VAL . 35.4 mt -62.36 -46.46 88.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -57.9 -40.96 81.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -62.08 -40.83 97.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.677 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -52.32 148.99 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 98' ' ' VAL . . . -109.75 -152.63 14.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -47.5 -62.01 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.859 0.361 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.1 t -75.25 104.2 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.677 HG22 ' HB1' ' A' ' 94' ' ' ALA . 85.8 t -120.57 105.72 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.476 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 18.6 m80 -92.73 97.49 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -82.8 110.42 17.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.599 HG22 ' CG2' ' A' ' 72' ' ' VAL . 18.3 m -81.55 103.56 11.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.79 HD11 HG12 ' A' ' 65' ' ' ILE . 0.6 OUTLIER -120.48 158.0 28.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.48 HG22 ' HB3' ' A' ' 14' ' ' PHE . 3.1 p -136.11 113.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 104' ' ' ARG . 1.7 ptm85 -105.87 154.83 20.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.581 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 2.3 ttm180 -70.37 118.77 13.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.403 ' CE ' ' HB3' ' A' ' 15' ' ' GLU . 19.5 mttt -55.57 162.38 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.8 m -63.88 139.49 58.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.0 m -143.75 170.37 16.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.1 t -61.65 134.12 56.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.8 m -114.04 178.15 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.1 t -108.32 41.82 1.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.435 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 3.6 m 42.46 54.87 9.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.696 0.76 . . . . 0.0 110.887 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 112' ' ' SER . 53.6 Cg_endo -69.76 -166.55 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.4 mt -80.34 -36.61 33.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -133.7 72.46 73.56 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 158.28 57.5 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.45 30.99 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.289 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.8 p -131.28 124.87 31.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -114.69 120.63 40.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -130.93 112.8 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 150.76 -174.29 30.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.1 t -170.39 159.17 6.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 111.157 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 32.7 m -115.97 171.74 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.5 t -115.72 -50.57 2.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 86.54 137.33 4.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.439 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -173.73 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 72.7 p -161.83 170.4 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.803 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 69.3 m -131.1 -63.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.516 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -113.68 159.44 19.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.349 . . . . 0.0 110.922 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 p -41.11 162.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.16 109.85 2.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -171.6 173.23 4.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.369 . . . . 0.0 110.841 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -64.19 117.37 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.67 140.62 2.97 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.74 121.99 1.04 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -69.86 80.01 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -105.31 73.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.3 t -97.33 -65.83 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -83.15 101.51 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.433 ' C ' ' HD2' ' A' ' 106' ' ' LYS . 8.1 mp -89.57 -26.51 20.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.571 ' HB3' HG22 ' A' ' 103' ' ' VAL . 11.9 m-85 -105.83 159.27 16.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -122.05 129.21 52.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.6 m -95.57 141.51 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -150.56 150.07 30.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.88 135.71 46.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.584 HG11 ' HB2' ' A' ' 64' ' ' HIS . 1.8 t -118.3 113.86 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.89 ' HG3' HG13 ' A' ' 97' ' ' VAL . 16.0 tt0 -84.63 91.51 7.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.994 HD11 HD12 ' A' ' 65' ' ' ILE . 84.4 mt -79.33 139.83 37.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 p -105.26 142.57 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.183 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -107.42 106.22 16.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -49.0 178.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -64.98 90.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.92 45.95 5.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.532 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.444 ' HG2' ' N ' ' A' ' 28' ' ' SER . 39.4 tt0 -123.46 151.7 42.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 110.917 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.444 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 74.5 m -99.49 158.15 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 29' ' ' LEU . 11.4 tp -50.66 -68.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.945 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.567 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 91.74 49.18 3.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.474 HD11 ' CD1' ' A' ' 21' ' ' LEU . 67.1 mt -135.25 114.61 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -90.34 135.57 33.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.1 pt -112.03 163.73 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 p -147.55 140.97 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.594 ' N ' HD21 ' A' ' 84' ' ' ASN . . . -91.66 103.06 3.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -79.88 154.99 27.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.934 0.397 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 63.6 t -125.23 -22.66 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.93 150.2 0.14 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 40' ' ' SER . 11.1 t -167.93 161.71 13.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 111.096 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' THR . 56.2 m -34.56 -42.63 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -38.12 -67.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.2 p -101.21 40.07 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.95 -76.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -171.73 127.11 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -165.03 107.87 0.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.4 p -128.6 144.93 51.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.94 -169.5 24.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.432 HG22 HD13 ' A' ' 71' ' ' ILE . 15.2 mm -96.24 126.92 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 111.153 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CE1' ' HG2' ' A' ' 70' ' ' LYS . 9.8 m-85 -128.25 156.03 43.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.0 t -74.57 111.37 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -74.07 -40.74 62.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 m -164.41 170.12 16.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.13 104.55 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.719 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.6 mp -52.31 129.88 42.31 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.64 0.733 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 155.51 65.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 59.56 29.87 67.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 p -115.88 179.46 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.51 64.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.81 -44.14 81.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -65.25 -50.41 65.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -50.79 -50.53 55.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -51.69 -61.65 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.55 26.46 17.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.584 ' HB2' HG11 ' A' ' 19' ' ' VAL . 12.5 m170 -114.85 -34.69 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.994 HD12 HD11 ' A' ' 21' ' ' LEU . 45.9 mt -98.22 122.2 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.543 ' NE2' ' C ' ' A' ' 64' ' ' HIS . 7.1 mp0 -138.22 173.81 11.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.16 172.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 62.2 41.35 10.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -130.55 163.79 26.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -124.46 123.45 40.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.475 ' CG2' HD11 ' A' ' 79' ' ' ILE . 5.1 mp -87.8 132.76 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 m -116.2 -24.32 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.49 ' HB3' ' CB ' ' A' ' 101' ' ' THR . . . -154.85 145.49 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.8 t -129.88 119.19 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' OD2' HG13 ' A' ' 98' ' ' VAL . 1.9 m-20 60.34 30.44 19.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.06 20.12 59.81 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.437 ' O ' HG23 ' A' ' 79' ' ' ILE . 84.2 t -119.27 112.76 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -62.16 90.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.475 HD11 ' CG2' ' A' ' 71' ' ' ILE . 7.5 pt -84.36 13.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -55.43 96.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.32 -21.99 14.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.7 m-85 -48.72 132.25 17.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.864 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -62.72 150.09 42.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.104 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.594 HD21 ' N ' ' A' ' 35' ' ' GLY . 6.0 m120 -38.05 -55.11 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -66.19 -40.27 90.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -56.49 -33.76 66.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.5 t -77.49 -37.2 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.5 t -53.5 -50.49 48.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 90' ' ' VAL . 5.9 pt-20 -55.08 -43.85 74.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.428 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 89.8 t -57.64 -34.35 47.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.2 mt -71.99 -44.27 63.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.454 ' HG2' ' N ' ' A' ' 93' ' ' ASN . 11.4 ptt180 -66.89 -43.64 82.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.454 ' N ' ' HG2' ' A' ' 92' ' ' ARG . 24.8 m-80 -66.7 -21.11 66.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.47 148.52 48.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.11 -160.75 29.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -50.89 -63.07 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.89 HG13 ' HG3' ' A' ' 20' ' ' GLU . 98.4 t -70.92 97.49 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.413 HG13 ' OD2' ' A' ' 75' ' ' ASP . 94.2 t -107.81 105.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 17.5 m80 -87.63 94.71 9.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.694 HD12 HD11 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -83.6 118.21 23.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.49 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . 5.2 m -94.24 118.34 31.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.694 HD11 HD12 ' A' ' 100' ' ' LEU . 1.4 mp -127.05 153.42 45.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 14' ' ' PHE . 2.7 p -129.97 106.69 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.099 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -100.02 155.83 17.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -74.4 127.53 33.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.433 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 29.5 mttt -64.96 -51.86 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.3 m -43.15 131.32 4.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 97.5 p -47.07 148.07 1.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 20.3 t -73.82 124.75 26.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 57.8 p -66.8 92.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.8 m -159.02 133.31 7.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.161 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.1 m -108.3 77.63 0.74 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -166.48 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.644 2.23 . . . . 0.0 112.321 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.558 HD12 ' HB2' ' A' ' 115' ' ' GLU . 4.0 pp -80.01 -37.42 34.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.558 ' HB2' HD12 ' A' ' 114' ' ' LEU . 34.9 tt0 -127.73 69.79 76.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.69 67.35 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.346 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -172.57 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.6 t -84.03 109.69 17.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.812 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.14 143.27 57.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -79.27 172.44 13.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -90.07 -121.54 2.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 75.8 p -106.55 170.67 7.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 111.148 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 11.9 p -110.42 138.07 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.6 m -146.99 153.46 40.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -156.11 -148.79 5.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 164.77 33.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.304 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 36.3 p -78.39 135.86 37.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.792 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 85.3 p -175.03 142.95 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 3' ' ' SER . 35.2 p -50.5 -45.95 56.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.826 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 2' ' ' SER . 4.4 t -36.61 -46.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.07 169.34 15.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 t -166.48 145.94 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.361 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 p -162.87 141.98 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . -100.76 47.42 1.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . 37.17 72.2 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m -169.76 170.4 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -115.89 76.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.3 t -104.43 -64.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.3 m -82.52 103.66 12.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 13' ' ' LEU . 7.7 mp -89.56 -31.6 17.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.66 ' HB3' HG22 ' A' ' 103' ' ' VAL . 15.6 m-85 -98.85 165.49 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -136.21 130.36 33.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.4 m -95.58 149.0 21.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -150.24 145.12 26.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -97.01 132.73 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.413 ' CG1' ' ND2' ' A' ' 62' ' ' ASN . 2.5 t -119.91 117.27 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.712 ' HG3' HG13 ' A' ' 97' ' ' VAL . 12.2 tt0 -98.31 93.36 6.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.75 HD11 ' CD1' ' A' ' 65' ' ' ILE . 21.7 mt -79.64 162.75 25.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 p -121.65 142.91 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -115.28 102.43 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 26' ' ' GLY . 23.6 mmmt -56.53 171.03 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -58.98 84.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 115.28 -40.39 2.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -45.33 160.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.1 m -125.61 177.45 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.55 ' CD2' HD22 ' A' ' 91' ' ' LEU . 10.0 tp -62.54 -69.34 0.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.79 53.46 3.99 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.491 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 79.3 mt -134.0 94.02 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 111.152 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.736 ' HG2' HD11 ' A' ' 54' ' ' ILE . 11.3 mmm180 -65.82 128.11 34.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.1 pt -106.38 157.3 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 49' ' ' TYR . 8.1 p -128.34 146.55 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.69 122.97 7.76 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -127.63 142.6 51.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.951 0.405 . . . . 0.0 110.913 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.7 m -123.79 -29.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 39' ' ' THR . . . 72.61 38.29 57.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' GLY . 7.0 t -34.54 -41.79 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 41' ' ' HIS . 31.9 p -117.07 -173.05 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.526 ' CD2' ' N ' ' A' ' 41' ' ' HIS . 0.0 OUTLIER -31.86 -78.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.417 ' H ' ' CD2' ' A' ' 41' ' ' HIS . 22.4 p 42.99 37.11 1.02 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.21 44.45 26.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.447 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 42.17 31.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.72 96.45 10.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.2 t -139.42 135.14 33.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.43 -162.79 28.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.0 mm -96.92 118.92 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 41.8 m-85 -122.13 162.13 21.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.7 t -79.81 114.13 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -43.25 48.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.1 177.3 11.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' A' ' 66' ' ' GLN . 88.6 t -134.15 92.83 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.134 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.8 ' H ' HD12 ' A' ' 54' ' ' ILE . 3.9 mp -48.1 134.76 11.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.549 0.69 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.506 ' HD2' HG23 ' A' ' 54' ' ' ILE . 54.5 Cg_endo -69.68 159.58 52.93 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.715 2.277 . . . . 0.0 112.341 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.23 30.44 64.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.2 p -117.86 170.26 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.85 -45.54 86.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.491 ' HB2' ' CG1' ' A' ' 31' ' ' ILE . . . -59.44 -49.83 76.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -57.89 -38.06 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -71.59 -49.59 38.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.465 ' ND2' HD23 ' A' ' 21' ' ' LEU . 22.1 t30 -51.5 -59.96 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.03 28.05 26.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -121.98 -27.82 4.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.75 ' CD1' HD11 ' A' ' 21' ' ' LEU . 11.5 mt -111.33 120.49 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.462 ' HA ' ' CG2' ' A' ' 53' ' ' VAL . 0.4 OUTLIER -157.02 170.33 22.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.3 m -40.13 161.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 65.18 39.71 5.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -140.77 130.26 23.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 4.3 ttpp -96.44 131.06 43.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.761 HG23 HD11 ' A' ' 100' ' ' LEU . 5.2 mp -104.65 124.04 59.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.0 m -100.17 -26.25 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HB3' ' HB ' ' A' ' 101' ' ' THR . . . -150.66 148.24 28.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.692 HG11 HD23 ' A' ' 91' ' ' LEU . 61.1 t -131.3 119.88 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.8 t70 59.45 36.71 23.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.91 23.04 70.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.3 t -120.21 119.72 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.091 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -67.39 97.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.419 ' HA ' ' CG ' ' A' ' 82' ' ' PHE . 6.5 pt -97.96 18.73 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -44.47 -71.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -91.95 42.18 2.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CG ' ' HA ' ' A' ' 79' ' ' ILE . 3.1 m-85 -99.19 145.49 27.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -83.7 151.06 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.063 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' ALA . 5.4 t-20 -34.37 -63.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -54.86 -46.82 74.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.597 ' O ' HG23 ' A' ' 90' ' ' VAL . 65.8 m-20 -53.63 -34.17 57.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.2 t -77.75 -35.31 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.6 t -57.79 -54.26 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 14.4 pt-20 -55.34 -41.03 71.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 86' ' ' ASP . 72.5 t -53.69 -41.8 48.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.692 HD23 HG11 ' A' ' 74' ' ' VAL . 17.9 mt -65.63 -46.17 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -58.42 -43.27 88.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -61.43 -40.37 94.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.09 154.61 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.07 -153.51 12.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -50.17 -61.0 2.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.37 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.712 HG13 ' HG3' ' A' ' 20' ' ' GLU . 94.1 t -75.31 102.41 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 59.2 t -110.51 107.33 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 8.3 m80 -92.74 104.12 16.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.761 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -93.96 136.7 33.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.577 ' N ' HD13 ' A' ' 100' ' ' LEU . 10.7 m -111.22 104.2 12.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.688 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -118.61 161.53 19.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.66 HG22 ' HB3' ' A' ' 14' ' ' PHE . 3.7 p -138.71 116.46 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -104.82 152.04 23.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -74.51 123.11 24.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 107' ' ' THR . 24.1 mttt -61.85 175.42 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.462 ' O ' HG22 ' A' ' 107' ' ' THR . 7.7 m 34.2 40.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 109' ' ' SER . 12.2 t -108.16 172.6 6.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 108' ' ' SER . 40.9 t -34.59 100.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.815 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 78.9 p -145.33 178.46 8.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.9 p -56.29 165.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.435 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 75.4 p 44.72 54.44 12.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.73 . . . . 0.0 110.83 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 112' ' ' SER . 53.8 Cg_endo -69.74 -170.31 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.493 HD12 ' HG2' ' A' ' 115' ' ' GLU . 4.1 pp -79.14 -28.76 42.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.493 ' HG2' HD12 ' A' ' 114' ' ' LEU . 14.3 mm-40 -134.46 69.29 73.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.626 0.726 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 157.12 61.51 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.34 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 161.38 46.14 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.738 2.292 . . . . 0.0 112.327 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.5 t -70.56 110.59 5.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -118.39 -34.48 4.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -90.59 -57.52 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.12 -41.36 2.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 12.1 t -83.06 41.1 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 111.142 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 124' ' ' SER . 92.6 t -148.48 123.15 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 123' ' ' VAL . 89.9 p -34.64 142.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -165.49 -93.86 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -179.39 2.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.3 t -160.37 176.04 12.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.8 t -48.51 105.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.4 p -171.89 130.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -120.61 175.13 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.78 162.22 30.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -155.19 159.56 40.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -157.0 158.08 35.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.27 121.36 1.14 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.21 89.57 0.1 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.454 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.6 t -66.82 -54.17 25.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -69.68 -41.33 75.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 10' ' ' ASP . 14.3 m -35.03 152.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' PHE . 39.4 m 55.44 54.91 7.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.465 ' CD1' ' H ' ' A' ' 13' ' ' LEU . 5.2 mp -40.03 -29.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 33.7 m-85 -101.21 147.47 26.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -122.7 147.01 46.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.4 m -109.22 144.69 36.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -144.18 146.89 33.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -98.43 127.78 44.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.17 113.66 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.757 ' HG2' HG13 ' A' ' 97' ' ' VAL . 2.0 tm-20 -92.46 101.57 14.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.81 HD11 HD12 ' A' ' 65' ' ' ILE . 75.5 mt -89.98 139.71 30.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.9 p -98.94 137.0 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -119.36 105.29 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -56.83 179.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.03 101.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.877 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' GLN . . . 96.51 -43.71 2.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLY . 42.3 tt0 -36.63 143.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.946 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.6 m -107.36 157.68 17.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.542 ' CD2' HD22 ' A' ' 91' ' ' LEU . 14.6 tp -42.49 -65.08 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.86 55.45 2.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.5 mt -141.46 119.75 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.427 ' HG2' HD11 ' A' ' 54' ' ' ILE . 16.2 mmm-85 -90.25 132.34 35.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 pt -112.18 170.03 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -155.07 140.3 10.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.11 84.33 1.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.532 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -60.63 131.56 51.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.984 0.421 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.6 t -102.1 -34.64 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.14 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.89 63.66 2.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.455 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 39' ' ' THR . 12.2 t -96.45 46.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 111.108 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.3 t -133.71 155.86 48.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' THR . 3.1 t-160 -76.53 159.48 30.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' HIS . 5.1 t 34.08 41.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -171.72 66.64 0.14 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -84.11 87.63 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.05 96.24 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 t -116.31 132.79 56.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.03 -170.85 29.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.42 133.74 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.119 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.512 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 54.7 m-85 -139.66 147.86 41.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.5 t -68.4 104.58 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -67.99 -44.91 75.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -158.28 169.76 23.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.3 t -125.9 106.19 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.537 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.0 mp -53.41 129.31 52.18 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.605 0.717 . . . . 0.0 111.175 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 154.8 67.17 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.77 22.8 54.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.445 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 p -110.48 168.57 9.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.815 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.19 -50.11 30.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.64 -58.06 9.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -47.27 -59.27 3.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -44.77 -59.82 2.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -50.96 -41.46 59.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.93 35.75 91.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.45 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.402 ' C ' HE21 ' A' ' 66' ' ' GLN . 18.4 m-70 -115.09 -36.96 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.81 HD12 HD11 ' A' ' 21' ' ' LEU . 20.3 mt -97.06 102.97 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.402 HE21 ' C ' ' A' ' 64' ' ' HIS . 40.1 mm-40 -104.82 -174.49 2.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.7 m -82.22 171.39 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 66.94 36.04 4.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -121.06 166.14 14.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.512 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 5.9 ttpt -121.22 122.23 39.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.433 HG12 HD11 ' A' ' 100' ' ' LEU . 16.6 mt -97.05 124.56 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.7 m -103.33 -22.2 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.15 145.41 19.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.651 HG11 HD23 ' A' ' 91' ' ' LEU . 60.9 t -127.74 121.91 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 55.6 38.41 30.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.25 24.14 71.95 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 79' ' ' ILE . 86.6 t -118.0 108.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 111.131 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -60.86 95.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.475 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.9 pt -95.89 18.09 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.07 75.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 123.29 19.72 2.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.461 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 2.9 m-85 -83.02 158.35 22.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.379 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' ASP . . . -81.41 142.0 33.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' ALA . 22.6 t-20 -34.46 -57.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -65.16 -36.23 83.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.584 ' O ' HG23 ' A' ' 90' ' ' VAL . 6.4 m-20 -60.6 -30.02 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.5 t -79.97 -31.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.9 t -61.83 -52.1 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -58.04 -40.8 81.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 86' ' ' ASP . 72.7 t -53.63 -42.67 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.651 HD23 HG11 ' A' ' 74' ' ' VAL . 10.9 mt -65.01 -46.31 81.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -59.54 -43.65 93.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -59.96 -38.48 82.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.43 145.91 13.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.95 -157.28 33.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -50.92 -60.27 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.832 0.348 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.757 HG13 ' HG2' ' A' ' 20' ' ' GLU . 96.4 t -74.74 100.02 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.475 HG21 HD13 ' A' ' 29' ' ' LEU . 89.2 t -106.15 101.99 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.452 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 5.7 m80 -85.09 101.29 12.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.638 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -88.84 128.3 35.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.429 ' N ' HD13 ' A' ' 100' ' ' LEU . 5.8 m -101.71 107.63 18.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.638 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.9 OUTLIER -120.53 156.58 31.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.434 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.0 OUTLIER -134.4 111.94 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -109.89 158.47 18.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.562 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 1.6 ttt180 -69.98 123.2 20.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -66.38 168.05 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 108' ' ' SER . 8.6 m -105.79 151.35 24.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 107' ' ' THR . 37.6 t -36.04 -37.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.4 t -52.12 167.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.2 t -56.87 -177.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.5 p -64.62 143.32 58.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.484 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 1.0 OUTLIER -66.34 -60.46 6.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.723 0.773 . . . . 0.0 110.908 -179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 112' ' ' SER . 53.8 Cg_endo -69.8 -165.54 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.67 2.247 . . . . 0.0 112.363 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.559 HD12 ' OE1' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -113.74 -37.11 4.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.559 ' OE1' HD12 ' A' ' 114' ' ' LEU . 2.8 mp0 -134.37 62.75 57.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.617 0.722 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 138.24 37.37 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 175.25 8.4 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.642 2.228 . . . . 0.0 112.346 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.6 p -132.4 149.24 52.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -149.73 141.42 23.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 ptt-85 -80.67 170.5 16.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -154.72 -157.01 7.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 70.4 p -127.14 171.08 11.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.764 0.316 . . . . 0.0 111.18 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 124' ' ' SER . 14.6 p -104.71 154.78 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.422 ' N ' HG22 ' A' ' 123' ' ' VAL . 61.2 m -51.43 -59.9 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.802 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.05 84.33 0.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 123.29 9.97 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 28.2 t -169.15 114.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.1 t -95.59 146.51 24.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -161.36 164.15 30.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -129.5 124.37 33.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.24 91.3 1.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -87.23 -41.28 13.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.848 0.356 . . . . 0.0 110.817 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -101.1 128.81 47.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.39 -99.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.522 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.12 139.61 5.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.0 p -129.78 152.24 49.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 110.888 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.22 91.2 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.4 p -126.5 -55.01 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.2 m -103.22 66.16 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.4 mm? -61.52 -32.63 72.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.586 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 6.8 m-85 -112.75 162.31 15.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -125.96 128.65 47.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.6 m -97.14 142.85 28.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.185 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -140.97 145.08 35.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.956 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -95.57 131.3 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.436 ' CG1' ' ND2' ' A' ' 62' ' ' ASN . 2.8 t -119.39 115.82 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.629 ' HG3' HG13 ' A' ' 97' ' ' VAL . 7.1 tt0 -93.52 104.27 16.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.535 HD11 HD12 ' A' ' 65' ' ' ILE . 69.8 mt -89.82 152.15 21.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.02 134.4 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -105.44 102.65 12.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -53.03 177.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.1 75.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.26 -43.74 1.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.416 ' OE1' ' HB2' ' A' ' 58' ' ' ALA . 25.6 tt0 -51.13 142.69 12.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.799 0.333 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.1 m -108.09 170.81 7.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.4 tp -50.4 -67.63 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.416 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 80.62 54.72 3.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 59' ' ' ALA . 38.5 mt -133.84 115.0 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 111.106 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.72 ' NH1' HD11 ' A' ' 54' ' ' ILE . 15.1 mmp_? -83.95 143.57 29.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.7 pt -126.35 169.97 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -152.77 147.45 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.508 ' N ' HD21 ' A' ' 84' ' ' ASN . . . -97.58 104.29 2.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -85.17 144.22 28.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.901 0.381 . . . . 0.0 110.922 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -116.59 -36.54 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.14 156.8 19.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 39' ' ' THR . 10.0 t -112.64 47.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.337 . . . . 0.0 111.143 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.4 m -169.03 169.83 9.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.525 ' CE1' ' HG1' ' A' ' 42' ' ' THR . 1.7 p80 -93.24 -34.27 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.525 ' HG1' ' CE1' ' A' ' 41' ' ' HIS . 16.5 p -129.31 164.03 24.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 44.68 66.93 1.26 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 38.7 tp10 -156.46 155.75 32.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.449 ' N ' ' HG3' ' A' ' 44' ' ' GLU . . . -82.44 120.62 25.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 p -146.43 122.36 10.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.786 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.14 -131.87 3.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.4 mm -123.35 123.71 68.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.55 ' CE2' ' HG3' ' A' ' 70' ' ' LYS . 69.3 m-85 -126.55 147.59 49.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 66.7 t -67.01 109.58 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -73.87 -38.66 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 m -164.59 167.36 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.691 HG21 ' HA ' ' A' ' 66' ' ' GLN . 96.9 t -133.78 112.26 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.161 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.72 HD11 ' NH1' ' A' ' 32' ' ' ARG . 5.3 mp -58.72 127.06 82.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.706 . . . . 0.0 111.182 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 152.95 69.62 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.58 24.42 75.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.3 p -114.85 -176.06 2.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.416 ' HB2' ' OE1' ' A' ' 27' ' ' GLN . . . -66.3 -50.76 62.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.639 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -60.6 -51.54 68.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -57.92 -44.93 87.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -60.19 -46.71 88.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.436 ' ND2' ' CG1' ' A' ' 19' ' ' VAL . 24.3 t30 -54.92 -57.15 12.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.59 31.27 22.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -122.1 -29.78 4.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.601 HG23 HD21 ' A' ' 102' ' ' LEU . 11.6 mt -114.72 109.08 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.691 ' HA ' HG21 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -145.09 -178.32 5.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.2 m -48.71 162.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 64.68 38.16 7.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -132.93 146.95 52.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.55 ' HG3' ' CE2' ' A' ' 49' ' ' TYR . 2.9 ttpt -115.09 119.72 37.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.54 HG12 HD11 ' A' ' 100' ' ' LEU . 5.3 mp -92.53 126.16 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.165 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 m -103.42 -26.9 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -155.94 139.89 16.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.479 HG11 HD23 ' A' ' 91' ' ' LEU . 95.2 t -110.87 116.55 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.464 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 1.5 p30 52.8 27.41 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.69 -22.48 32.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 79' ' ' ILE . 84.5 t -73.58 108.43 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -66.12 87.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 77' ' ' VAL . 4.7 pt -85.33 26.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -74.8 51.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 153.55 31.71 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -104.53 160.84 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 84' ' ' ASN . . . -82.47 143.98 30.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.508 HD21 ' N ' ' A' ' 35' ' ' GLY . 5.1 m120 -33.73 -61.63 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -61.85 -39.91 93.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.554 ' O ' HG23 ' A' ' 90' ' ' VAL . 70.5 m-20 -57.25 -31.68 65.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.4 t -78.77 -31.09 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.7 t -60.42 -49.95 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 6.9 pt-20 -59.38 -34.31 72.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 86' ' ' ASP . 92.0 t -59.48 -43.51 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.479 HD23 HG11 ' A' ' 74' ' ' VAL . 16.2 mt -64.28 -47.03 81.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 46.5 mtp85 -61.0 -40.93 95.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -62.01 -37.45 84.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.78 148.03 13.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.05 -155.05 30.78 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -54.09 -60.99 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.629 HG13 ' HG3' ' A' ' 20' ' ' GLU . 70.0 t -71.9 99.46 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.48 105.8 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.5 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 14.3 m80 -91.75 96.41 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.734 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -79.64 131.94 36.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.512 ' N ' HD13 ' A' ' 100' ' ' LEU . 2.6 m -105.79 102.98 12.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.734 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -118.43 161.44 19.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.1 p -137.62 121.22 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -109.58 155.58 21.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.586 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 3.4 ttm180 -75.46 127.18 32.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 107' ' ' THR . 3.5 mtpm? -80.38 -60.83 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' LYS . 23.6 p -33.47 147.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.6 t -65.83 -177.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.2 t -79.07 45.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 t 72.13 26.02 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 61.1 p -103.97 -5.62 22.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.8 m -82.46 153.77 68.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.629 0.728 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -163.81 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.676 2.25 . . . . 0.0 112.338 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.689 ' H ' HD23 ' A' ' 114' ' ' LEU . 1.5 pt? -77.89 -33.67 51.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.411 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 15.9 mt-10 -134.84 74.37 64.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.612 0.72 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 115.85 4.29 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.297 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 85.0 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.359 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 72.8 m -114.43 -63.7 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -104.08 156.91 17.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -100.55 87.86 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -146.97 158.02 27.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.469 ' O ' HG23 ' A' ' 122' ' ' THR . 8.1 t -142.93 118.94 10.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 111.151 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.3 t -136.84 131.9 47.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 63.2 p -77.5 140.96 39.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 162.65 131.78 1.26 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -176.05 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 79.7 p -94.46 173.69 7.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 88.7 p -170.43 166.95 8.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.447 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 p -111.02 150.02 29.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.888 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 m -155.83 165.35 36.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.59 137.34 10.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -141.17 170.74 15.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.353 . . . . 0.0 110.87 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 m -138.14 139.5 39.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.85 -168.15 11.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.7 -84.67 0.33 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.49 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.3 p -42.01 137.66 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.865 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.584 ' CA ' HD21 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -83.86 42.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 t -68.8 -70.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 p -100.24 94.33 6.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.584 HD21 ' CA ' ' A' ' 10' ' ' ASP . 14.5 mt -92.23 -25.89 18.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.495 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 22.7 m-85 -108.25 152.21 24.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -125.62 138.7 53.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.4 m -100.53 146.23 27.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -150.14 153.68 36.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.928 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -103.38 131.66 50.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.8 t -116.38 113.39 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 22.8 tt0 -86.08 112.01 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.565 HD21 HD12 ' A' ' 65' ' ' ILE . 85.4 mt -94.99 149.76 20.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 22' ' ' VAL . 4.2 p -110.38 122.97 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -92.46 92.47 8.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -54.1 163.11 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -41.53 97.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.0 44.36 61.6 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.425 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -103.33 135.16 45.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.3 m -96.85 138.06 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.463 ' CD2' HD22 ' A' ' 91' ' ' LEU . 11.9 tp -39.29 -68.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.464 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 82.09 50.79 4.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.503 HD11 ' HB2' ' A' ' 59' ' ' ALA . 73.4 mt -129.02 108.16 16.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.855 0.359 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -81.02 124.82 29.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.8 pt -106.84 170.06 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -148.79 147.09 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.41 96.94 1.4 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -74.62 149.57 39.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.931 0.396 . . . . 0.0 110.898 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.3 t -130.03 -29.88 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.3 77.88 0.53 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -101.8 -38.27 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.752 0.311 . . . . 0.0 111.113 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.4 t -120.01 -43.0 2.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -53.17 152.45 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.6 p -111.83 135.15 52.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 44' ' ' GLU . . . 123.88 40.9 0.43 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.455 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 43' ' ' GLY . 10.7 mm-40 33.55 46.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.12 102.88 5.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.7 p -156.23 130.91 8.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 145.76 -173.24 26.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.3 mm -92.94 122.59 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.541 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 3.1 m-85 -131.03 156.25 45.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.73 112.78 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -78.08 -38.29 44.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 m -163.59 169.29 18.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.588 HG21 ' HA ' ' A' ' 66' ' ' GLN . 48.1 t -136.52 119.86 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.69 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.6 mp -69.65 129.34 91.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.739 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 139.99 41.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.82 17.93 64.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 p -109.36 174.23 5.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.68 84.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.503 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -60.84 -44.57 96.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -65.87 -46.82 76.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -53.98 -44.37 70.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.405 HD22 HD23 ' A' ' 21' ' ' LEU . 19.2 t-20 -56.52 -75.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.78 16.64 11.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -114.8 -25.72 8.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.565 HD12 HD21 ' A' ' 21' ' ' LEU . 13.9 mt -110.53 110.93 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.588 ' HA ' HG21 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -151.88 -178.74 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.3 m -51.45 162.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 66.76 35.96 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.53 136.85 39.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.541 ' CG ' ' CZ ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -102.99 131.0 50.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.474 HG22 HD11 ' A' ' 79' ' ' ILE . 5.1 mp -100.24 133.86 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.7 m -111.02 -31.64 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.37 139.63 18.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.463 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 87.5 t -110.67 120.67 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.463 ' CG ' ' O ' ' A' ' 74' ' ' VAL . 1.5 p30 52.8 27.82 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.18 -21.07 42.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.5 t -74.76 119.87 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 111.128 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -72.9 95.84 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.518 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 6.6 pt -89.76 15.94 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -59.29 90.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.94 -19.7 15.27 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.9 m-85 -48.57 141.4 7.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.94 156.87 38.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.422 ' O ' HG23 ' A' ' 88' ' ' VAL . 12.8 t-20 -42.75 -49.9 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -70.98 -44.74 65.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.563 ' O ' HG23 ' A' ' 90' ' ' VAL . 96.0 m-20 -52.31 -25.2 8.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 83.9 t -85.94 -35.54 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 84' ' ' ASN . 79.0 t -58.89 -50.4 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -57.22 -42.45 81.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 86' ' ' ASP . 80.5 t -52.98 -48.69 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' A' ' 29' ' ' LEU . 18.6 mt -58.04 -44.01 87.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.5 mtt-85 -62.07 -37.83 86.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -64.73 -39.08 93.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.632 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -53.21 158.84 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.47 -147.26 9.79 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -57.49 -56.35 22.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.434 HG13 ' HG3' ' A' ' 20' ' ' GLU . 87.8 t -81.18 104.71 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.632 HG22 ' HB1' ' A' ' 94' ' ' ALA . 94.5 t -119.82 109.15 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.468 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 20.9 m80 -94.5 99.45 11.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.82 HD12 ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -81.57 126.87 32.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.471 ' N ' HD13 ' A' ' 100' ' ' LEU . 6.7 m -101.67 105.65 16.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.16 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.82 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -119.52 164.38 15.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.495 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.5 p -138.4 114.22 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -110.8 159.58 17.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -74.34 117.67 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.443 ' HD2' ' C ' ' A' ' 13' ' ' LEU . 24.1 mttt -52.95 174.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' SER . 28.0 m -49.21 -51.39 33.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 107' ' ' THR . 56.0 p 37.47 46.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.1 p -56.42 166.5 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 111' ' ' THR . 89.9 p -77.28 165.26 24.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 110' ' ' SER . 11.4 t 34.61 41.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 45.9 m -46.33 142.71 4.17 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.701 0.762 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -163.61 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.362 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.738 HD13 ' H ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -100.31 -15.3 18.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.523 ' N ' HD22 ' A' ' 114' ' ' LEU . 6.6 mm-40 -134.54 52.49 7.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.647 0.737 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 115' ' ' GLU . 54.0 Cg_endo -69.72 156.96 62.09 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.376 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 4.33 2.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.6 t -43.09 127.0 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -86.69 173.41 9.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -101.35 164.64 11.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -177.22 -170.97 40.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 59.3 p -74.72 174.07 9.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 111.124 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.405 HG22 ' N ' ' A' ' 124' ' ' SER . 14.9 p -97.77 154.47 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.405 ' N ' HG22 ' A' ' 123' ' ' VAL . 55.9 p -155.95 128.75 7.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.402 ' HA2' ' HD2' ' A' ' 126' ' ' PRO . . . -96.31 113.32 4.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.402 ' HD2' ' HA2' ' A' ' 125' ' ' GLY . 53.2 Cg_endo -69.79 -42.62 3.22 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.239 . . . . 0.0 112.358 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.4 t 49.69 39.97 18.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.2 p -66.61 134.95 53.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -157.3 140.29 15.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 t -125.5 142.16 51.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.9 120.33 0.94 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -105.05 84.05 2.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -40.67 148.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.8 165.63 38.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.9 -179.05 35.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.8 p -53.05 158.73 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.839 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.441 ' HB3' HD11 ' A' ' 13' ' ' LEU . 29.6 m-20 -67.65 82.24 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.2 t -103.39 -60.31 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 m -96.81 70.6 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 13' ' ' LEU . 3.7 mm? -65.67 -34.0 77.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.437 ' CB ' ' CG2' ' A' ' 103' ' ' VAL . 14.4 m-85 -108.17 158.38 17.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -118.26 126.15 51.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.9 m -95.4 145.12 25.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -154.61 146.05 23.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.5 135.59 38.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.683 HG11 ' HB2' ' A' ' 64' ' ' HIS . 2.0 t -118.11 116.76 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.926 ' HG3' HG13 ' A' ' 97' ' ' VAL . 35.7 tt0 -92.32 89.81 6.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.56 HD11 HD12 ' A' ' 65' ' ' ILE . 92.4 mt -72.84 142.95 47.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.6 p -108.7 135.69 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.107 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -105.25 113.13 26.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -57.65 179.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.33 79.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.13 40.92 2.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -120.21 162.37 19.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.1 m -114.98 170.88 8.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.809 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.9 tp -62.12 -66.29 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 57' ' ' SER . . . 84.94 51.42 3.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.4 mt -131.53 113.86 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -86.92 125.97 34.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 pt -109.74 168.23 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 p -148.89 142.37 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.48 94.28 1.37 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -81.55 131.73 35.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.413 . . . . 0.0 110.888 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.0 t -104.72 -33.57 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.156 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.08 96.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 t -45.06 -35.34 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 111.142 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 41' ' ' HIS . 64.5 m -71.1 -34.33 71.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 40' ' ' SER . 12.9 p-80 41.76 39.24 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.2 p -134.83 82.15 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.77 32.6 66.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.507 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 45' ' ' ALA . 10.7 tt0 -122.49 164.78 17.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.887 0.375 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 44' ' ' GLU . . . -33.23 119.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.0 p -168.84 112.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.67 -130.99 3.11 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.461 ' CG2' HD12 ' A' ' 71' ' ' ILE . 26.5 mm -117.4 124.49 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 0.0 111.121 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.447 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 58.8 m-85 -130.34 145.92 51.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.7 t -69.33 94.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -57.87 -43.25 85.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -162.83 173.33 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.0 t -143.59 111.09 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.951 HG22 ' H ' ' A' ' 56' ' ' GLY . 4.1 mp -52.65 124.5 34.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.678 0.752 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.595 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 53.9 Cg_endo -69.74 3.57 2.68 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.951 ' H ' HG22 ' A' ' 54' ' ' ILE . . . -127.16 37.79 2.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.441 ' CB ' ' HA3' ' A' ' 30' ' ' GLY . 65.1 p -137.16 165.25 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.835 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 61' ' ' HIS . . . -49.51 -56.67 9.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.83 -33.65 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 55' ' ' PRO . 38.0 t80 -78.51 -36.82 44.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 58' ' ' ALA . 58.2 m-70 -69.12 -41.0 77.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.475 ' ND2' ' CD2' ' A' ' 64' ' ' HIS . 8.8 t30 -58.15 -48.34 80.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.87 35.72 34.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.683 ' HB2' HG11 ' A' ' 19' ' ' VAL . 76.2 m-70 -122.81 -39.02 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.56 HD12 HD11 ' A' ' 21' ' ' LEU . 22.0 mt -98.9 118.16 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -143.22 167.87 21.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.4 m -48.68 169.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 62.21 35.9 15.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -136.11 131.63 35.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -95.97 135.4 37.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.734 HG23 HD11 ' A' ' 100' ' ' LEU . 4.6 mt -94.96 122.42 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.2 m -102.44 -26.9 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.37 145.32 20.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.739 HG11 HD23 ' A' ' 91' ' ' LEU . 42.8 t -127.9 117.77 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.698 ' OD1' HG13 ' A' ' 98' ' ' VAL . 0.5 OUTLIER 54.32 40.52 31.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.54 29.19 60.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.8 t -123.25 107.01 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 111.138 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -63.86 92.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 81' ' ' GLY . 7.3 pt -87.67 9.72 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -55.02 84.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 116.31 19.81 5.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -87.09 164.93 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.927 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -85.8 154.97 21.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.524 ' O ' HG23 ' A' ' 88' ' ' VAL . 3.2 t-20 -45.29 -49.05 12.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -71.45 -45.74 61.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.809 ' O ' HG23 ' A' ' 90' ' ' VAL . 4.4 m-20 -50.14 -29.31 8.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 83' ' ' ALA . 57.5 t -82.44 -40.38 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 84' ' ' ASN . 91.6 t -55.87 -49.58 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -61.58 -40.27 94.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 86' ' ' ASP . 78.1 t -54.51 -43.09 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.739 HD23 HG11 ' A' ' 74' ' ' VAL . 12.8 mt -66.75 -44.16 82.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -61.24 -43.44 98.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -59.83 -38.15 81.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.87 142.83 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.53 -158.48 34.65 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.449 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -47.75 -59.39 3.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.926 HG13 ' HG3' ' A' ' 20' ' ' GLU . 94.5 t -75.27 98.9 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.698 HG13 ' OD1' ' A' ' 75' ' ' ASP . 62.3 t -105.88 105.56 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.542 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 7.2 m170 -90.51 94.04 9.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.889 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.734 HD11 HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -86.12 128.51 34.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.466 ' N ' HD13 ' A' ' 100' ' ' LEU . 9.1 m -103.56 111.43 23.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.666 ' HG ' HD12 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -124.44 157.86 34.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.437 ' CG2' ' CB ' ' A' ' 14' ' ' PHE . 1.2 p -134.9 113.3 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -111.95 156.87 21.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 -65.76 131.65 46.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -75.11 177.23 6.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.66 -44.39 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.4 m -143.09 143.22 31.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.7 m -68.84 108.73 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.4 t -120.05 -54.88 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.6 m -151.42 126.34 9.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.7 t -71.09 142.25 87.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.651 0.738 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -173.26 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.662 2.241 . . . . 0.0 112.318 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 59.7 mt -94.15 -49.68 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -134.77 73.46 66.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.618 0.723 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 140.75 43.47 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.334 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 178.71 4.33 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.416 ' O ' ' CG ' ' A' ' 119' ' ' ASP . 63.4 p -113.98 115.63 27.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 118' ' ' SER . 7.9 m-20 -173.44 173.36 3.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -123.09 164.03 19.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -100.11 155.17 19.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 40.5 p -143.58 174.83 10.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 111.177 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.8 m -110.1 127.77 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.6 t -172.81 153.61 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -132.43 141.73 13.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -34.58 14.36 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.4 t 50.01 37.89 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.839 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 26.9 t -79.83 -45.6 18.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.532 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -76.37 103.64 6.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.908 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -131.09 154.6 48.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.813 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.1 94.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -60.89 97.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 110.845 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 t -103.09 81.2 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.18 -158.7 14.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.431 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.32 133.86 4.06 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 t -147.2 164.89 31.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -168.72 110.94 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' SER . 22.8 t -121.26 155.45 34.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 11' ' ' SER . 36.6 m 34.46 54.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.828 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.41 ' O ' ' CD ' ' A' ' 106' ' ' LYS . 5.1 mp -40.21 -31.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.485 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 31.5 m-85 -101.28 145.62 28.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -118.06 140.37 49.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -102.93 137.33 41.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -137.42 147.05 45.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -97.7 132.87 42.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.429 ' CG1' ' ND2' ' A' ' 62' ' ' ASN . 2.9 t -119.62 113.81 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HB2' ' CD2' ' A' ' 99' ' ' HIS . 14.4 tt0 -88.29 110.02 20.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.579 HD11 HD12 ' A' ' 65' ' ' ILE . 72.8 mt -96.24 144.68 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -106.31 136.05 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -111.82 105.36 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.01 177.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -66.88 80.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.39 41.28 1.92 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -124.05 129.24 50.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 0.0 110.905 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.4 m -84.32 175.85 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.43 HD21 HD12 ' A' ' 31' ' ' ILE . 11.0 tp -67.91 -69.58 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.675 ' HA2' HD13 ' A' ' 54' ' ' ILE . . . 89.37 43.7 5.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.54 HD11 ' HB2' ' A' ' 59' ' ' ALA . 87.1 mt -127.02 114.02 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 111.115 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mmt-85 -90.14 137.59 32.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 pt -114.28 166.57 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.3 p -137.76 149.06 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.581 ' N ' HD21 ' A' ' 84' ' ' ASN . . . -102.43 105.62 2.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -92.18 152.47 19.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.918 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.8 m -130.23 -30.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.36 57.99 3.48 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 40' ' ' SER . 10.0 t -62.76 -44.07 97.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.469 ' N ' HG23 ' A' ' 39' ' ' THR . 1.3 t -55.18 151.17 9.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -92.06 33.97 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.8 p -138.81 135.16 34.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 44.86 80.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -46.89 107.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.8 99.92 6.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.4 p -137.23 135.11 36.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.62 -172.81 31.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.9 mm -97.93 121.59 48.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.379 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 70' ' ' LYS . 20.8 m-85 -122.65 153.56 39.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 67.2 t -70.44 106.13 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -43.35 75.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 m -163.21 168.2 21.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.693 HG21 ' HA ' ' A' ' 66' ' ' GLN . 69.3 t -140.55 113.23 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.151 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.764 ' H ' HD12 ' A' ' 54' ' ' ILE . 4.6 mp -56.59 135.09 77.58 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 111.092 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.534 ' HD2' HG23 ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.74 162.61 41.4 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.537 ' HA2' ' CE1' ' A' ' 61' ' ' HIS . . . 53.2 30.65 39.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.495 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 19.2 p -115.14 -177.58 3.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.98 -48.72 72.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.072 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB2' HD11 ' A' ' 31' ' ' ILE . . . -62.91 -54.28 40.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -57.21 -55.35 35.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.537 ' CE1' ' HA2' ' A' ' 56' ' ' GLY . 22.3 m-70 -48.28 -52.53 20.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.877 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.429 ' ND2' ' CG1' ' A' ' 19' ' ' VAL . 19.9 t30 -49.82 -51.85 36.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.59 33.75 24.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.44 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -128.59 -30.13 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.743 0.306 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.579 HD12 HD11 ' A' ' 21' ' ' LEU . 11.4 mt -113.97 104.82 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.693 ' HA ' HG21 ' A' ' 53' ' ' VAL . 1.1 pm0 -146.71 177.44 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.6 m -42.59 162.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 64.01 46.32 3.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -146.62 142.27 27.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 3.9 ttpp -107.25 125.27 50.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.468 HG12 HD11 ' A' ' 100' ' ' LEU . 53.9 mt -97.09 128.5 48.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 m -106.4 -32.09 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -147.76 135.3 20.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.543 HG12 ' OD2' ' A' ' 75' ' ' ASP . 96.8 t -106.1 116.65 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.543 ' OD2' HG12 ' A' ' 74' ' ' VAL . 3.5 p30 50.48 35.42 11.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.11 -23.26 37.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.2 t -72.91 109.19 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -68.49 90.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.54 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 4.9 pt -82.48 19.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -58.08 90.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 100.51 28.98 6.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.54 ' CD1' ' HA ' ' A' ' 79' ' ' ILE . 3.2 m-85 -90.18 146.15 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.754 ' HB1' ' CE1' ' A' ' 85' ' ' HIS . . . -68.58 138.45 55.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.581 HD21 ' N ' ' A' ' 35' ' ' GLY . 5.9 m120 -33.62 -43.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.754 ' CE1' ' HB1' ' A' ' 83' ' ' ALA . 11.9 p-80 -73.91 -47.19 39.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.927 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.4 m-20 -49.0 -37.6 20.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.0 t -70.9 -39.04 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 84' ' ' ASN . 99.1 t -56.34 -54.67 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 90' ' ' VAL . 8.7 pt-20 -58.3 -38.21 76.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.927 HG23 ' O ' ' A' ' 86' ' ' ASP . 94.0 t -56.46 -42.65 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.472 HD23 HG11 ' A' ' 74' ' ' VAL . 15.6 mt -63.5 -47.99 79.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -57.76 -42.72 84.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -59.8 -40.68 89.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.641 ' HB1' HG22 ' A' ' 98' ' ' VAL . . . -47.15 151.52 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.504 ' O ' HG23 ' A' ' 98' ' ' VAL . . . -109.67 -153.48 14.71 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.519 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -51.87 -61.21 2.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.413 HG13 ' HG3' ' A' ' 20' ' ' GLU . 99.6 t -77.08 99.99 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.641 HG22 ' HB1' ' A' ' 94' ' ' ALA . 88.4 t -113.83 107.98 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.435 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 11.2 m80 -91.57 99.3 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.664 HD12 HD11 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -80.14 129.68 34.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.3 m -105.52 109.36 21.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.664 HD11 HD12 ' A' ' 100' ' ' LEU . 1.0 OUTLIER -120.75 162.01 20.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 14' ' ' PHE . 1.7 p -139.39 108.52 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -108.47 164.73 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -72.43 131.82 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.41 ' CD ' ' O ' ' A' ' 13' ' ' LEU . 4.0 mtpm? -77.4 171.75 14.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.2 m -104.37 154.78 19.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.2 p -43.65 -52.82 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.2 t -47.33 143.14 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.3 t 57.34 42.94 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 13.0 t -71.11 154.29 41.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.08 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 46.5 t -43.67 143.76 1.54 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.665 0.745 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -176.0 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.724 2.283 . . . . 0.0 112.344 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 52.8 mt -70.12 -42.62 72.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -133.3 73.91 73.17 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.65 0.738 . . . . 0.0 110.827 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 167.17 25.27 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 133.68 26.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.341 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.0 m 58.86 48.23 11.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -83.67 152.34 24.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.8 ttp85 -170.3 153.15 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.521 ' O ' ' C ' ' A' ' 122' ' ' THR . . . 147.42 -50.77 0.58 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.658 ' O ' HG23 ' A' ' 122' ' ' THR . 9.0 t 26.28 47.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 111.093 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 121' ' ' GLY . 34.5 m -88.26 171.28 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.16 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.3 p -83.89 114.76 21.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.419 ' HA2' ' HD2' ' A' ' 126' ' ' PRO . . . -173.57 108.2 0.27 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.419 ' HD2' ' HA2' ' A' ' 125' ' ' GLY . 53.7 Cg_endo -69.83 -15.47 36.86 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.306 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 t -137.07 159.54 41.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.8 p -94.41 -61.42 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.488 -179.96 . . . . . . . . 0 0 . 1 stop_ save_