data_1wfp_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 1wfp _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 ' 26' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 36' ' ' GLY . 3.1 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.785 0.326 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -140.2 171.01 14.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -60.25 166.61 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.447 HD21 ' CB ' ' A' ' 46' ' ' SER . 64.9 tp -101.13 -10.55 20.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -116.89 -41.75 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 33' ' ' LYS . 15.4 p -106.18 2.7 27.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.1 m120 40.18 38.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.426 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 78.0 tttt -88.99 144.15 26.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -59.37 101.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.428 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 30.2 m -103.1 -19.31 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' N ' HG22 ' A' ' 26' ' ' THR . . . 42.08 -115.76 0.94 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.535 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 p -87.71 -45.99 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 39' ' ' GLY . 68.0 p -47.15 -28.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.428 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -37.19 156.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.463 ' CE1' ' HA2' ' A' ' 50' ' ' GLY . 36.0 m-85 -113.93 102.92 10.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.946 0.403 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -55.82 148.13 17.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.1 t -123.04 167.05 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -57.11 -25.74 59.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.2 p -80.48 -11.35 59.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.49 -38.04 3.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.447 ' CB ' HD21 ' A' ' 29' ' ' LEU . 18.4 m -50.92 172.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.93 0.395 . . . . 0.0 110.857 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 m -124.16 128.86 49.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.472 ' CE2' ' CD2' ' A' ' 58' ' ' HIS . 2.9 m-85 -120.58 173.79 6.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.8 p -94.42 -179.86 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.463 ' HA2' ' CE1' ' A' ' 40' ' ' PHE . . . -67.12 -1.26 12.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.484 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.0 m -104.84 -34.36 8.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 0.0 111.133 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -116.32 25.89 10.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.411 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 11.7 ptt85 -68.47 -35.22 77.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.411 ' CD1' ' HG2' ' A' ' 53' ' ' ARG . 1.4 m-85 -74.85 150.93 86.44 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.727 0.775 . . . . 0.0 110.902 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.22 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -50.6 -30.78 14.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 m -78.31 -29.72 47.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.542 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 11.8 p-80 -129.24 115.71 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -47.73 93.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.3 t -60.11 114.85 3.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -64.35 -47.38 79.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -57.8 118.03 4.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 36' ' ' GLY . 20.5 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.805 0.336 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.41 ' NH1' ' HD3' ' A' ' 34' ' ' LYS . 79.2 mtt-85 -138.06 169.62 17.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -62.49 168.4 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.56 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 27.7 tp -105.04 -10.1 17.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -109.87 -46.86 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.0 p -105.66 -10.53 16.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 57.04 47.14 18.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -98.59 137.56 37.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.41 ' HD3' ' NH1' ' A' ' 27' ' ' ARG . 15.1 tptp -54.32 96.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.461 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 35.4 m -91.69 -30.55 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.465 ' N ' HG22 ' A' ' 26' ' ' THR . . . 43.71 -130.14 6.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 p -74.35 -27.93 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.377 . . . . 0.0 111.119 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.9 p -83.93 29.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.177 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.461 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -97.16 178.11 32.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.506 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.494 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 3.9 m-85 -133.59 106.74 7.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -63.88 165.96 7.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.3 t -134.33 165.38 25.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -52.9 -32.16 43.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.1 p -72.78 -20.23 61.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.68 -32.57 7.0 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.53 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.422 ' CB ' HD21 ' A' ' 29' ' ' LEU . 13.9 m -57.0 166.04 1.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.928 0.394 . . . . 0.0 110.893 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.444 HG22 ' CG2' ' A' ' 35' ' ' VAL . 5.7 m -115.79 129.98 56.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 4.4 m-85 -123.35 175.63 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.8 p -98.98 169.21 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.494 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -51.73 -19.15 4.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.1 m -85.91 -50.26 7.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -103.58 33.47 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -75.95 -34.38 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -75.94 152.96 84.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.701 0.763 . . . . 0.0 110.915 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.77 -37.04 9.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.2 -35.08 76.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -74.85 -30.93 61.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.539 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.8 p-80 -125.14 114.85 19.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -45.4 96.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.6 t -72.93 104.92 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -41.55 98.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -46.83 132.24 11.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.438 HG22 ' CG2' ' A' ' 35' ' ' VAL . 24.0 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.831 0.348 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -152.15 163.21 39.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -51.62 168.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.438 HD21 ' CZ ' ' A' ' 48' ' ' PHE . 39.8 tp -104.61 -11.35 16.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -111.99 -42.85 3.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -109.98 0.39 18.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.0 m120 42.89 47.75 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -98.57 131.61 44.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -42.75 105.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.479 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 34.0 m -109.13 -20.87 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.95 -129.3 4.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.59 -36.68 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.938 0.399 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.6 p -57.35 -27.02 61.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.183 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.479 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -42.13 161.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.453 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 5.2 m-85 -114.21 116.92 29.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.95 0.405 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -70.04 150.11 46.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.0 t -120.7 163.85 17.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -53.21 -28.13 25.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.8 p -75.34 -21.08 58.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.7 -32.43 7.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -60.11 165.43 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.963 0.411 . . . . 0.0 110.831 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.441 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 17.7 m -108.1 148.73 29.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 47' ' ' THR . 8.8 m-85 -142.06 174.3 10.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.3 p -100.51 163.42 12.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.453 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -46.2 -22.84 1.01 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.435 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.8 m -82.39 -47.92 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.342 . . . . 0.0 111.137 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -106.58 32.68 4.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -75.63 -37.4 59.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -75.08 152.37 86.33 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 110.967 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.461 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.9 Cg_endo -69.75 -40.15 5.68 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.706 2.271 . . . . 0.0 112.328 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -60.78 -30.22 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.0 p -78.28 -31.18 48.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.7 p-80 -124.0 116.5 22.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -47.26 93.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' HIS . 4.7 t -62.45 126.32 26.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -76.88 -45.39 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -48.82 135.97 14.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 t70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.433 HG22 ' CG2' ' A' ' 35' ' ' VAL . 8.4 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.759 0.314 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -145.65 173.38 12.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.419 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 9.9 t -66.4 167.74 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.5 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 40.4 tp -102.79 -10.84 18.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -114.3 -41.58 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.419 ' SG ' ' CB ' ' A' ' 28' ' ' CYS . 23.4 p -105.93 -7.97 17.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 m120 53.24 36.84 23.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -92.42 139.16 30.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -56.31 105.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.459 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 34.7 m -101.29 -25.85 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.418 ' N ' HG22 ' A' ' 26' ' ' THR . . . 40.94 -127.81 3.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -77.98 -24.98 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.8 p -85.26 28.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.459 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -96.72 177.61 33.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.538 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 2.9 m-85 -132.15 106.87 8.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 110.846 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -62.26 167.17 4.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.6 t -137.45 163.06 32.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -52.17 -31.49 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.9 p -70.05 -23.25 63.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.0 -27.93 13.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.424 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.3 m -65.63 167.46 9.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.981 0.42 . . . . 0.0 110.862 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.41 HG22 ' CG2' ' A' ' 35' ' ' VAL . 6.6 m -110.58 141.63 43.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 6.0 m-85 -134.18 173.82 11.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.8 p -97.41 171.64 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.538 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -55.24 -16.53 9.37 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.7 m -87.42 -45.49 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 111.141 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -109.51 31.59 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -73.55 -39.91 64.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -75.85 152.12 84.66 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.74 . . . . 0.0 110.92 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.449 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.4 Cg_endo -69.81 -49.14 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -48.89 -33.2 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -76.72 -31.12 56.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 11.0 p-80 -126.19 115.2 19.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -46.69 94.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 58' ' ' HIS . 4.5 t -64.07 117.52 7.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -68.51 -44.0 75.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -52.38 132.54 34.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 36' ' ' GLY . 41.3 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.3 mtt85 -148.53 170.54 17.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -61.14 169.11 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 14.3 tp -106.19 -11.73 15.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 m -108.63 -46.01 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.1 p -106.67 -9.52 16.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.0 t30 55.71 48.5 18.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -100.72 133.98 44.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -48.37 102.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.459 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 34.3 m -100.91 -28.89 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.443 ' N ' HG23 ' A' ' 26' ' ' THR . . . 43.85 -132.47 6.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.9 p -76.3 -24.96 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.5 p -87.79 33.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.459 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -97.1 -169.24 33.38 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 5.4 m-85 -139.79 110.61 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.882 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -70.25 160.58 31.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.7 t -131.1 165.01 24.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -52.75 -31.71 39.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 p -72.24 -20.8 61.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.62 -32.29 7.26 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.407 ' CB ' HD23 ' A' ' 29' ' ' LEU . 3.5 m -58.71 164.23 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.932 0.396 . . . . 0.0 110.894 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.9 m -111.38 140.18 46.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 3.0 m-85 -132.77 178.32 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.8 p -95.86 -174.65 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.443 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -79.82 24.31 3.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.6 m -129.03 -29.84 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.82 0.343 . . . . 0.0 111.177 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 53' ' ' ARG . 45.7 m80 -114.25 -8.12 12.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.823 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 52' ' ' HIS . 3.8 ptm180 -36.67 -34.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 52' ' ' HIS . 8.2 m-85 -72.77 148.88 90.1 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.734 0.778 . . . . 0.0 110.91 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.429 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.78 -38.72 7.37 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.33 -34.66 74.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 t -74.02 -32.05 63.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.531 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 15.9 p-80 -124.8 114.75 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -47.55 94.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.2 t -63.52 133.24 53.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -86.46 -39.69 16.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -59.16 113.9 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 36' ' ' GLY . 2.9 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.819 0.342 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -142.15 169.56 17.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.41 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 8.6 t -58.21 168.5 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.555 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 52.5 tp -101.98 -11.9 18.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 m -116.69 -39.13 3.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.41 ' SG ' ' CB ' ' A' ' 28' ' ' CYS . 16.7 p -108.71 0.29 20.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 41.66 44.05 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -95.57 136.99 35.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -52.33 98.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.467 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 32.6 m -95.51 -27.55 4.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.462 ' N ' HG23 ' A' ' 26' ' ' THR . . . 37.05 -135.52 0.74 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.34 -11.25 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.931 0.396 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -99.31 30.85 3.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.467 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -99.42 -175.23 31.33 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.513 ' N ' ' CD1' ' A' ' 40' ' ' PHE . 1.4 m-85 -134.49 105.77 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.399 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -62.75 154.73 28.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.1 t -132.33 166.81 21.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -55.81 -30.66 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -74.53 -0.95 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.63 -35.54 3.04 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 m -56.08 165.45 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.406 HG23 ' CG2' ' A' ' 35' ' ' VAL . 22.5 m -115.4 133.63 55.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 2.2 m-85 -126.28 173.66 9.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.1 p -92.62 -174.33 3.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.411 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -79.63 19.75 5.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 83.7 m -124.62 -25.23 4.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.114 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -120.52 -1.54 10.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -42.85 -36.47 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.45 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 5.2 m-85 -68.21 145.72 97.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.692 0.758 . . . . 0.0 110.909 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.578 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.81 -31.54 20.1 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.626 2.218 . . . . 0.0 112.36 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -76.15 -23.47 54.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -83.79 -27.69 28.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 6.8 p-80 -119.58 167.16 12.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -83.6 87.16 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.6 t -73.98 84.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -52.27 -50.59 61.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -39.15 126.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 36' ' ' GLY . 13.9 m . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.792 0.33 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -140.92 168.12 20.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -53.96 168.06 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.426 HD22 ' CZ ' ' A' ' 48' ' ' PHE . 51.3 tp -103.92 -10.63 18.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -114.32 -39.33 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.0 p -112.19 1.52 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 m120 41.07 51.64 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -101.87 139.09 37.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -50.29 101.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.459 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 26.8 m -104.45 -20.46 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.459 ' N ' HG23 ' A' ' 26' ' ' THR . . . 40.42 -123.24 2.21 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.8 p -85.79 -33.07 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.377 . . . . 0.0 111.12 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -61.19 -18.18 56.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.459 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -47.28 166.02 0.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.4 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 15.8 m-85 -120.45 99.84 6.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.937 0.398 . . . . 0.0 110.919 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 3.4 tppp? -49.39 151.45 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 13.5 t -129.75 168.07 17.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -56.23 -29.42 60.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.9 p -77.45 0.8 21.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.52 -20.06 6.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.411 ' CB ' HD23 ' A' ' 29' ' ' LEU . 3.4 m -68.44 171.99 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.93 0.395 . . . . 0.0 110.897 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.4 m -118.07 128.46 54.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 48' ' ' PHE . 3.4 m-85 -121.51 175.67 6.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.4 p -98.22 171.9 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.4 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -54.92 -14.14 5.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.7 m -91.09 -50.08 6.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.849 0.357 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -101.85 30.4 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -70.33 -38.23 74.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.45 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 1.7 m-85 -71.61 148.58 92.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.672 0.749 . . . . 0.0 110.919 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.568 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.77 -40.62 5.09 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.341 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -67.98 -21.25 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 m -78.5 -32.82 48.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 17.3 p-80 -118.37 177.69 4.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -87.96 86.93 7.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.1 t -70.46 91.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -52.53 -51.49 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -44.69 146.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.5 t70 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 36' ' ' GLY . 4.3 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.822 0.344 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -134.14 171.2 14.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -60.8 170.62 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 28.3 tp -101.38 -15.38 17.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 m -112.51 -43.44 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 p -105.45 2.24 28.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 m120 39.18 44.89 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -94.51 135.33 36.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 tptm -52.13 96.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.428 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 28.4 m -95.71 -25.34 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.468 ' N ' HG23 ' A' ' 26' ' ' THR . . . 36.82 -128.31 1.09 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -72.21 -26.39 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 111.174 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.3 p -83.52 27.06 0.62 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.428 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -98.26 168.39 23.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 3.3 m-85 -125.24 104.94 8.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.13 164.04 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.7 t -133.22 164.65 26.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -52.97 -30.7 36.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.0 p -74.43 -20.32 60.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.3 -32.35 7.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 m -56.79 166.8 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.942 0.401 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -114.71 132.86 56.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 4.6 m-85 -125.86 172.84 9.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.3 p -98.06 170.86 8.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.449 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -52.72 -15.96 3.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.4 m -88.4 -53.46 4.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 111.15 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -100.66 34.92 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 9.6 ptt180 -76.61 -33.94 58.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.4 ' CE1' ' HG2' ' A' ' 53' ' ' ARG . 2.8 m-85 -77.08 151.71 81.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.696 0.76 . . . . 0.0 110.931 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.499 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.82 -42.88 2.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.246 . . . . 0.0 112.306 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.11 -32.51 66.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -76.35 -30.36 57.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.6 p-80 -125.24 114.12 18.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -45.62 94.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' HIS . 4.4 t -63.54 115.8 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -69.13 -45.11 70.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -52.06 126.41 18.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 27' ' ' ARG . 3.0 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.826 0.346 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.404 ' N ' HG23 ' A' ' 26' ' ' THR . 70.2 mtt180 -156.15 168.39 27.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -55.62 167.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.479 HD22 ' CZ ' ' A' ' 48' ' ' PHE . 17.8 tp -106.39 -10.8 16.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -108.11 -46.32 3.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.5 p -105.76 -11.41 16.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 58.24 44.49 18.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -96.76 141.33 30.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -51.08 110.78 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.485 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 8.8 m -117.21 -13.77 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 35' ' ' VAL . . . 31.71 -102.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.461 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 38' ' ' THR . 7.5 p -93.88 -45.07 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 111.1 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.412 ' N ' HG12 ' A' ' 37' ' ' VAL . 30.8 p -48.05 -22.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.485 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -43.01 158.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -124.71 108.14 11.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -57.6 151.54 16.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.6 t -130.32 165.28 22.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 -53.07 -26.4 15.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 7.6 p -81.06 10.15 5.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.97 31.05 74.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.0 m -116.77 166.57 11.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m -112.85 126.9 55.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.55 ' CE2' ' CD2' ' A' ' 58' ' ' HIS . 11.9 m-85 -123.63 178.3 5.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.4 p -101.01 161.85 13.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.74 -19.7 0.54 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.2 m -85.17 -47.52 10.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 111.148 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -106.72 31.63 5.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -73.67 -36.3 65.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.439 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 3.3 m-85 -72.63 146.87 88.95 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.676 0.75 . . . . 0.0 110.91 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -38.83 7.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.4 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 pm0 -68.2 -30.79 69.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.3 m -74.62 -33.19 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.55 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 9.9 p-80 -120.45 120.57 36.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -43.12 97.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.1 t -76.95 95.96 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -47.8 -41.07 22.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.4 ' CE2' ' O ' ' A' ' 63' ' ' ASP . 31.6 t80 -50.38 142.79 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.4 ' O ' ' CE2' ' A' ' 62' ' ' PHE . 6.7 m-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 36' ' ' GLY . 8.4 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.789 0.328 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.417 ' HG3' ' C ' ' A' ' 26' ' ' THR . 74.3 mtt-85 -150.1 163.26 38.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.8 t -51.03 168.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.496 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 23.3 tp -105.15 -12.76 15.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.4 m -107.09 -47.08 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.7 -12.58 16.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 58.46 47.32 13.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.48 141.65 33.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -51.85 101.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.477 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 31.8 m -105.06 -21.78 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.435 ' N ' HG23 ' A' ' 26' ' ' THR . . . 41.32 -125.42 3.24 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 38' ' ' THR . 8.0 p -79.15 -45.55 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 111.104 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.405 ' N ' HG11 ' A' ' 37' ' ' VAL . 72.4 p -49.11 -32.43 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.477 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -38.32 156.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.403 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 8.5 m-85 -109.77 122.06 46.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.863 0.363 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tttm -72.55 150.26 43.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.8 t -121.99 164.65 17.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -53.06 -28.91 27.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 p -75.58 -20.43 58.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.17 -32.2 7.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.469 ' CB ' HD22 ' A' ' 29' ' ' LEU . 13.4 m -58.02 166.62 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.41 . . . . 0.0 110.845 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.422 HG21 ' CG2' ' A' ' 35' ' ' VAL . 7.5 m -110.45 139.76 45.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 14.9 m-85 -132.93 177.49 7.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.8 p -102.88 167.59 9.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -51.01 -19.02 3.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 m -86.2 -48.6 8.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.796 0.331 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -106.39 34.98 3.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -76.15 -38.65 56.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -72.66 153.09 91.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.719 0.771 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.462 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.3 Cg_endo -69.79 -36.2 11.15 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.685 2.256 . . . . 0.0 112.303 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -63.12 -36.43 83.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -70.67 -31.47 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.533 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 15.5 p-80 -124.96 114.14 18.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -45.86 92.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 58' ' ' HIS . 5.1 t -63.49 129.23 39.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -80.76 -42.52 21.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -49.36 141.93 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 36' ' ' GLY . 5.7 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.741 0.305 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -149.36 168.19 24.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 t -58.07 167.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.55 HD22 ' CZ ' ' A' ' 48' ' ' PHE . 21.5 tp -103.08 -11.82 17.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -112.74 -43.6 3.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.2 p -104.22 -6.06 21.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.5 t30 50.22 40.45 22.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -94.34 140.33 29.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.65 106.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.21 -24.43 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.46 ' N ' HG23 ' A' ' 26' ' ' THR . . . 39.92 -117.2 0.81 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 p -86.44 -23.78 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.3 p -84.16 31.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -99.87 -176.76 30.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -138.52 112.49 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.923 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -65.74 158.35 27.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.1 t -136.37 164.87 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -51.33 -27.03 8.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 p -81.09 15.15 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.34 27.96 48.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -111.7 167.22 10.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 110.883 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.5 m -115.45 123.21 48.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.55 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 1.6 m-85 -119.82 176.25 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.3 p -92.88 -176.3 4.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.19 19.95 6.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.0 m -126.15 -24.23 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 111.157 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -118.45 -6.93 10.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -39.57 -36.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -72.05 144.11 87.16 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.715 0.769 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.42 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 54.2 Cg_endo -69.75 -42.43 3.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.246 . . . . 0.0 112.364 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -54.14 -29.83 46.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.8 t -84.17 -27.63 27.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 6.7 p-80 -127.9 116.95 20.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.6 90.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' HIS . 8.2 t -59.53 110.22 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -61.23 -37.81 84.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -65.69 121.25 14.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.444 HG21 ' CG2' ' A' ' 35' ' ' VAL . 16.1 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.74 0.305 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -143.92 167.63 21.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.6 t -58.72 167.8 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.51 HD23 ' CZ ' ' A' ' 48' ' ' PHE . 46.1 tp -101.65 -10.31 20.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -115.68 -44.37 2.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.2 p -103.77 -2.15 26.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.6 m120 46.04 37.23 3.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' O ' HG11 ' A' ' 35' ' ' VAL . 20.5 ttmt -88.11 140.68 29.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -57.67 98.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.453 ' CG2' HG21 ' A' ' 47' ' ' THR . 27.6 m -95.25 -29.38 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.403 ' N ' HG21 ' A' ' 26' ' ' THR . . . 42.9 -131.3 5.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 p -73.89 -26.73 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.93 0.395 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.6 p -83.18 26.37 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.428 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -92.76 -174.41 41.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.479 ' N ' ' CD1' ' A' ' 40' ' ' PHE . 1.8 m-85 -143.31 109.01 5.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -64.24 164.2 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.5 t -134.26 164.64 26.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -51.66 -33.1 32.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -71.04 -22.14 62.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.63 -30.19 9.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.3 m -62.48 164.78 6.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.889 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.453 HG21 ' CG2' ' A' ' 35' ' ' VAL . 6.6 m -108.56 140.43 41.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.164 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.51 ' CZ ' HD23 ' A' ' 29' ' ' LEU . 8.9 m-85 -132.98 173.81 11.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.9 p -99.86 166.73 10.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.83 -24.21 4.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.2 m -80.86 -48.25 12.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 111.169 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -106.34 31.72 4.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.416 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 9.7 ptt180 -75.45 -32.92 60.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.416 ' CE1' ' HG2' ' A' ' 53' ' ' ARG . 2.6 m-85 -78.25 150.88 77.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.679 0.752 . . . . 0.0 110.886 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.455 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.74 -41.45 4.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 57' ' ' SER . 4.4 pt-20 -59.03 -32.42 69.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.446 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 2.5 m -75.61 -31.32 59.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 13.4 p-80 -124.59 114.88 19.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -45.22 96.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.33 120.83 13.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -73.32 -45.82 53.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -57.13 132.2 52.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.0 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 36' ' ' GLY . 11.1 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.794 0.331 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.4 mtt85 -146.49 173.08 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.9 t -65.92 167.76 9.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.447 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 46.2 tp -103.91 -10.01 18.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 m -112.33 -45.27 3.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.797 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.4 p -105.32 -9.17 17.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 51.5 t30 53.49 45.21 28.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -96.7 139.34 32.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -55.6 97.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.481 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 34.6 m -94.42 -29.45 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.467 ' N ' HG22 ' A' ' 26' ' ' THR . . . 42.05 -133.65 4.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.8 p -72.15 -24.73 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 111.151 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -87.0 29.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.481 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -98.9 178.24 30.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.486 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 6.6 m-85 -130.54 102.96 6.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 110.836 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.31 165.13 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.9 t -136.01 166.13 24.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -54.2 -30.84 51.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 p -79.14 7.85 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.1 -38.5 2.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.443 ' CB ' HD21 ' A' ' 29' ' ' LEU . 3.9 m -51.57 166.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 110.864 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.2 m -116.57 139.64 50.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.472 ' CE2' ' CD2' ' A' ' 58' ' ' HIS . 6.7 m-85 -130.21 172.49 11.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.4 p -97.54 170.95 8.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.486 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -53.26 -19.63 8.52 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.6 m -85.64 -48.85 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -104.45 32.6 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.2 ptt85 -73.87 -36.37 64.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -75.79 152.29 84.83 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.686 0.755 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.3 Cg_endo -69.73 -43.33 2.75 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -54.8 -34.89 63.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 t -73.75 -31.45 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.566 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 12.2 p-80 -126.13 113.15 16.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -45.69 96.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.9 t -63.92 125.7 25.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -79.47 -46.12 18.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.429 ' CE2' ' O ' ' A' ' 63' ' ' ASP . 33.0 t80 -52.25 125.13 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.429 ' O ' ' CE2' ' A' ' 62' ' ' PHE . 11.6 t0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.411 HG23 ' CG2' ' A' ' 35' ' ' VAL . 16.2 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.741 0.305 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -144.26 172.56 12.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -61.41 168.76 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.449 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 12.2 tp -106.23 -13.0 15.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -108.32 -44.59 4.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.7 p -107.3 -7.29 16.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.81 46.18 26.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -97.07 137.25 36.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -50.17 105.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.411 ' CG2' HG23 ' A' ' 26' ' ' THR . 34.7 m -106.83 -19.6 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.2 -118.85 1.4 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.2 p -95.28 -21.23 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.941 0.4 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.7 p -84.72 28.57 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.437 ' C ' ' CD1' ' A' ' 40' ' ' PHE . . . -86.86 -157.94 31.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 27.7 m-85 -148.77 106.47 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER -65.7 155.39 36.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 48.8 t -134.92 165.83 24.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -51.03 -34.68 30.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.6 p -68.68 -22.35 64.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.83 -26.32 24.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -63.22 165.52 7.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.412 . . . . 0.0 110.839 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.3 m -109.93 134.52 52.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 5.5 m-85 -129.4 174.65 9.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.0 p -94.66 -177.98 4.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.85 3.55 9.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.426 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.5 m -109.66 -37.57 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 111.159 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -114.17 32.38 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.409 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 7.7 ptt85 -76.24 -35.8 58.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.459 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 3.5 m-85 -71.41 147.95 93.07 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.663 0.744 . . . . 0.0 110.915 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.57 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.77 -33.71 16.0 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.738 2.292 . . . . 0.0 112.332 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -74.21 -26.04 60.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 m -78.31 -31.34 48.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 7.9 p-80 -116.79 171.37 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -85.39 88.2 7.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.0 t -71.09 92.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' PHE . 82.7 mm-40 -54.96 -50.87 67.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' GLN . 5.9 t80 -35.8 126.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.447 HG23 ' CG2' ' A' ' 35' ' ' VAL . 5.7 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.781 0.324 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -152.2 168.37 25.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -55.91 168.96 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.484 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 21.2 tp -106.06 -13.02 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -107.87 -45.17 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.0 p -106.17 -9.74 16.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 t30 54.76 46.9 23.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -99.42 140.02 34.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -50.08 107.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.447 ' CG2' HG23 ' A' ' 26' ' ' THR . 33.1 m -111.17 -26.11 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.406 ' N ' HG23 ' A' ' 26' ' ' THR . . . 41.65 -110.83 0.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 38' ' ' THR . 7.2 p -88.14 -44.49 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.473 ' N ' HG13 ' A' ' 37' ' ' VAL . 59.5 p -50.06 -24.86 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.417 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -40.46 159.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.486 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -121.83 87.81 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.915 0.388 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -43.6 154.93 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.9 t -129.18 166.2 19.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -51.3 -34.12 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.7 p -69.97 -22.01 63.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.39 -29.18 11.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.533 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.436 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.5 m -61.82 165.12 5.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.966 0.412 . . . . 0.0 110.832 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.6 m -112.17 139.21 47.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.484 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 9.8 m-85 -132.43 177.18 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.7 p -100.39 172.43 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -55.4 -12.25 4.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 m -93.62 -49.76 5.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 111.114 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -103.01 35.26 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -75.85 -37.26 59.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -70.14 151.9 95.86 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.688 0.756 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.578 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.79 -40.4 5.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -67.7 -23.77 65.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.7 p -77.58 -34.3 53.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 6.6 p-80 -114.0 175.81 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -87.71 85.58 7.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.8 96.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -59.03 -49.95 75.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -47.95 132.04 15.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 t0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.816 0.341 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -146.93 169.08 19.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -55.8 168.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.513 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 26.7 tp -103.11 -13.86 16.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -110.7 -44.64 3.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.6 p -103.08 -5.1 23.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.3 t30 47.57 44.31 16.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -97.69 144.05 27.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -54.34 106.21 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.487 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 16.3 m -110.34 -20.85 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.61 -116.47 0.66 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 38' ' ' THR . 7.3 p -84.77 -45.09 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.833 0.349 . . . . 0.0 111.085 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.457 ' N ' HG12 ' A' ' 37' ' ' VAL . 69.9 p -48.8 -28.28 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.487 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -39.08 159.78 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.426 ' CE1' ' HA2' ' A' ' 50' ' ' GLY . 16.6 m-85 -116.78 113.94 23.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -65.36 147.46 53.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.8 t -122.31 162.86 20.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.0 mtt-85 -53.75 -28.18 32.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.9 p -75.52 -20.11 58.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.18 -33.52 6.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.468 ' CB ' HD23 ' A' ' 29' ' ' LEU . 4.4 m -59.88 163.99 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.407 . . . . 0.0 110.875 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.5 m -108.54 145.98 33.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 15.3 m-85 -138.2 178.19 7.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' ARG . 20.9 p -103.57 166.37 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.426 ' HA2' ' CE1' ' A' ' 40' ' ' PHE . . . -47.17 -26.73 3.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.3 m -78.82 -49.9 12.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.127 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -105.38 32.63 4.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.414 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . 18.2 ptt85 -74.69 -36.58 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -73.75 149.56 88.15 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.692 0.758 . . . . 0.0 110.95 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.6 Cg_endo -69.69 -35.44 12.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.325 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.43 -32.32 71.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -74.56 -32.02 62.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.508 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 6.4 p-80 -119.78 122.1 40.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -46.36 96.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.5 t -75.51 115.39 15.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -64.83 -42.94 94.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.478 ' CE2' ' O ' ' A' ' 63' ' ' ASP . 54.7 t80 -51.46 136.65 25.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.478 ' O ' ' CE2' ' A' ' 62' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 36' ' ' GLY . 20.2 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.812 0.339 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -149.76 169.64 20.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.8 t -60.21 168.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.502 HD21 ' CZ ' ' A' ' 48' ' ' PHE . 32.0 tp -104.67 -11.27 16.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.3 m -111.98 -42.11 3.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.3 p -107.93 -8.25 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 52.5 47.57 24.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -101.35 135.23 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -49.69 103.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.444 ' CG2' HG23 ' A' ' 47' ' ' THR . 34.6 m -102.55 -25.18 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' HG21 ' A' ' 26' ' ' THR . . . 38.51 -125.67 1.67 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -80.26 -24.62 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 111.113 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.3 p -84.43 27.3 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.436 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -94.16 -171.29 38.32 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.493 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 3.1 m-85 -143.85 109.06 5.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.929 0.395 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -62.26 167.29 4.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.9 t -141.58 163.97 31.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -51.63 -32.42 29.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.75 -23.17 63.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.61 -25.15 26.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.6 m -68.31 167.1 15.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.923 0.392 . . . . 0.0 110.886 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.444 HG23 ' CG2' ' A' ' 35' ' ' VAL . 8.2 m -105.99 141.02 38.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 29' ' ' LEU . 8.0 m-85 -134.25 172.09 13.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.3 p -96.62 168.14 10.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.493 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -51.69 -17.54 3.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.533 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.4 m -87.15 -49.21 7.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.807 0.337 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -104.2 32.59 3.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -74.96 -37.94 61.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -78.72 151.42 76.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.672 0.749 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.483 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 54.0 Cg_endo -69.78 -41.77 3.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.383 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -56.43 -33.28 65.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 m -75.97 -31.33 58.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 14.7 p-80 -124.83 113.79 18.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -45.96 90.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.477 ' N ' ' O ' ' A' ' 58' ' ' HIS . 6.9 t -62.5 124.08 20.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -77.04 -36.43 56.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.3 145.36 22.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.4 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 36' ' ' GLY . 7.0 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.801 0.334 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.2 mtt85 -146.08 173.12 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -63.11 168.1 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.9 tp -105.81 -12.15 15.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -110.46 -39.92 4.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 p -110.12 -9.78 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 53.22 47.59 24.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -100.81 141.44 33.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -54.08 104.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.44 ' CG2' HG22 ' A' ' 26' ' ' THR . 34.1 m -104.5 -27.84 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.455 ' N ' HG22 ' A' ' 26' ' ' THR . . . 40.66 -134.87 2.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 p -74.75 -14.17 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 111.097 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.9 p -95.51 30.21 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.435 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -101.58 177.73 27.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.468 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 2.6 m-85 -126.44 107.02 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -65.59 156.74 31.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.4 t -126.11 168.03 14.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -56.4 -27.24 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.7 p -79.69 1.96 24.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.15 -39.47 3.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.534 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.1 m -51.65 166.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.936 0.398 . . . . 0.0 110.86 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.435 HG23 ' CG2' ' A' ' 35' ' ' VAL . 24.2 m -116.79 138.1 51.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.461 ' N ' ' CD1' ' A' ' 48' ' ' PHE . 2.9 m-85 -127.97 175.47 8.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.4 p -94.5 -175.97 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.468 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -76.34 11.51 12.48 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 65.7 m -117.89 -23.57 7.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.172 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -119.64 -5.28 10.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.434 ' HD2' ' CD2' ' A' ' 40' ' ' PHE . 0.3 OUTLIER -41.68 -37.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -70.1 143.86 91.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.689 0.757 . . . . 0.0 110.922 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 58' ' ' HIS . 54.2 Cg_endo -69.74 -39.9 5.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -56.69 -34.33 67.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 t -74.43 -30.01 61.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.561 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.5 p-80 -128.35 113.8 16.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -47.74 93.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.6 t -58.1 118.7 5.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -69.68 -45.73 67.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -54.28 126.48 23.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t0 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.453 HG21 ' N ' ' A' ' 36' ' ' GLY . 18.7 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.783 0.325 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -156.1 168.48 27.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -57.41 167.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.574 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 28.0 tp -105.44 -9.5 17.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -111.01 -45.7 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 p -107.94 -7.68 16.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 51.8 t30 53.24 49.44 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -98.09 135.42 39.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -49.31 99.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.5 m -100.84 -25.47 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.453 ' N ' HG21 ' A' ' 26' ' ' THR . . . 41.3 -114.61 0.63 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.519 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 p -92.98 -21.02 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.5 p -84.56 28.49 0.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.404 ' C ' ' CD1' ' A' ' 40' ' ' PHE . . . -94.08 -169.62 37.98 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.451 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.432 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 8.2 m-85 -144.69 107.47 4.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -62.09 151.06 36.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.8 t -130.93 164.97 24.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -52.17 -26.28 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.0 p -79.6 12.44 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.83 29.12 58.26 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.411 ' CB ' HD21 ' A' ' 29' ' ' LEU . 2.6 m -116.28 165.72 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 m -112.79 124.72 53.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.099 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 4.4 m-85 -122.06 179.66 4.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.0 p -99.64 161.13 13.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.432 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -44.44 -21.55 0.28 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.1 m -83.62 -52.93 6.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.1 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -100.62 32.19 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -73.86 -36.62 64.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -75.97 149.45 82.71 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.692 0.758 . . . . 0.0 110.946 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.571 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.6 Cg_endo -69.74 -35.52 12.55 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.718 2.279 . . . . 0.0 112.312 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.5 pm0 -72.08 -26.1 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 m -78.95 -32.74 45.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 4.6 p-80 -113.59 171.84 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -86.21 88.69 7.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.3 t -70.24 96.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -56.91 -46.99 81.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -44.34 138.37 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.82 0.343 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -144.78 159.73 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.3 t -45.51 169.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.554 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 21.9 tp -105.23 -16.55 14.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.3 m -108.38 -40.57 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 p -108.69 -1.46 19.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.9 m120 44.01 41.43 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -92.25 141.59 28.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -50.73 105.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.487 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 23.2 m -109.76 -14.91 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' VAL . . . 35.12 -113.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.7 p -92.59 -31.19 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 0.0 111.115 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.3 p -60.25 -21.15 61.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.487 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -44.92 167.04 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -127.71 107.96 10.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -57.12 145.16 31.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.2 t -124.26 164.72 18.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -50.76 -26.92 6.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.9 p -81.69 13.76 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.16 25.04 56.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 m -109.77 167.0 10.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.95 0.405 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.6 m -112.19 128.7 56.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.554 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 12.0 m-85 -125.77 176.67 6.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.4 p -100.23 161.58 13.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.01 -21.56 0.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.6 m -82.89 -50.57 8.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -103.77 31.22 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -76.35 -30.65 57.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -85.55 151.56 56.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.72 0.772 . . . . 0.0 110.913 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.434 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 54.5 Cg_endo -69.72 -49.48 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.686 2.257 . . . . 0.0 112.391 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -47.16 -34.32 6.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -77.36 -30.32 53.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.551 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.0 p-80 -127.78 114.99 17.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -49.5 92.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 58' ' ' HIS . 5.2 t -60.4 112.49 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -61.57 -52.47 64.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -47.96 136.46 11.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.8 m -143.25 154.23 43.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -101.85 150.96 22.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.71 154.56 8.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -162.43 147.36 12.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.892 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 p -154.15 131.12 10.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.17 148.53 12.78 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.5 p -123.67 146.58 48.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 111.075 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -134.9 142.48 46.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.39 -162.45 25.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -109.98 47.76 1.01 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.502 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' SER . 5.7 t70 -79.39 -50.87 10.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.779 0.323 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' ASP . 9.2 t -35.04 124.85 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.37 -43.21 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.15 133.94 25.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.4 144.63 4.56 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 161.01 47.6 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.647 2.231 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 tt -55.15 100.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -143.04 155.72 62.09 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.604 0.716 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 168.35 21.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.718 2.279 . . . . 0.0 112.292 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 0.8 5.11 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.383 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -56.03 -41.9 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.9 p -168.07 151.04 5.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -144.65 137.65 26.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -146.12 179.24 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.069 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 36' ' ' GLY . 3.1 m -124.71 115.77 21.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -140.2 171.01 14.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -60.25 166.61 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.447 HD21 ' CB ' ' A' ' 46' ' ' SER . 64.9 tp -101.13 -10.55 20.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -116.89 -41.75 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 33' ' ' LYS . 15.4 p -106.18 2.7 27.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.1 m120 40.18 38.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.426 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 78.0 tttt -88.99 144.15 26.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -59.37 101.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.428 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 30.2 m -103.1 -19.31 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' N ' HG22 ' A' ' 26' ' ' THR . . . 42.08 -115.76 0.94 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.535 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 p -87.71 -45.99 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 39' ' ' GLY . 68.0 p -47.15 -28.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.428 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -37.19 156.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.463 ' CE1' ' HA2' ' A' ' 50' ' ' GLY . 36.0 m-85 -113.93 102.92 10.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.946 0.403 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -55.82 148.13 17.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.1 t -123.04 167.05 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.401 ' HD2' ' CE1' ' A' ' 64' ' ' PHE . 4.4 mtt-85 -57.11 -25.74 59.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.2 p -80.48 -11.35 59.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.49 -38.04 3.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.447 ' CB ' HD21 ' A' ' 29' ' ' LEU . 18.4 m -50.92 172.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.93 0.395 . . . . 0.0 110.857 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 m -124.16 128.86 49.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.472 ' CE2' ' CD2' ' A' ' 58' ' ' HIS . 2.9 m-85 -120.58 173.79 6.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.8 p -94.42 -179.86 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.463 ' HA2' ' CE1' ' A' ' 40' ' ' PHE . . . -67.12 -1.26 12.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.484 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.0 m -104.84 -34.36 8.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 0.0 111.133 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -116.32 25.89 10.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.411 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 11.7 ptt85 -68.47 -35.22 77.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.411 ' CD1' ' HG2' ' A' ' 53' ' ' ARG . 1.4 m-85 -74.85 150.93 86.44 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.727 0.775 . . . . 0.0 110.902 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.22 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -50.6 -30.78 14.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 m -78.31 -29.72 47.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.542 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 11.8 p-80 -129.24 115.71 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -47.73 93.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.3 t -60.11 114.85 3.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -64.35 -47.38 79.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -57.8 118.03 4.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -59.9 115.22 3.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' GLY . 22.5 m-85 -64.02 128.6 36.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' PHE . 24.0 mtmm 35.45 33.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . 78.72 -59.88 4.13 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.0 p -49.78 140.19 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.347 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.53 140.34 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.7 m -125.08 -45.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.46 80.76 0.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 114.49 3.72 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.735 2.29 . . . . 0.0 112.332 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.9 m -86.88 143.56 27.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.6 t -84.45 103.79 13.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.506 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -168.67 155.83 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.814 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -167.03 148.63 5.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.94 135.75 2.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 t -136.8 124.66 22.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -149.08 141.55 24.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.809 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.25 138.02 6.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.9 m -135.81 124.76 24.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.802 0.334 . . . . 0.0 111.111 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.2 ttt85 -111.57 159.95 17.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.68 -126.25 7.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.441 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 128.81 47.07 0.17 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.456 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.36 143.09 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.7 m -122.24 111.4 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.42 171.16 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.45 109.94 21.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -159.25 157.66 27.64 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.585 0.707 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' LEU . 54.0 Cg_endo -69.78 178.61 4.41 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.647 2.231 . . . . 0.0 112.37 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' PRO . 10.6 tp -35.62 -48.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -112.88 140.58 24.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.709 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 131.58 21.57 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 22' ' ' LYS . 53.9 Cg_endo -69.77 117.74 5.26 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.728 2.285 . . . . 0.0 112.381 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' PRO . 14.1 tppt? -35.41 -48.48 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.3 m -89.96 153.1 20.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 t -83.16 144.6 29.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -170.25 173.09 5.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 36' ' ' GLY . 20.5 m -142.07 111.07 6.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.41 ' NH1' ' HD3' ' A' ' 34' ' ' LYS . 79.2 mtt-85 -138.06 169.62 17.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -62.49 168.4 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.56 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 27.7 tp -105.04 -10.1 17.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -109.87 -46.86 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.0 p -105.66 -10.53 16.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 57.04 47.14 18.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -98.59 137.56 37.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.41 ' HD3' ' NH1' ' A' ' 27' ' ' ARG . 15.1 tptp -54.32 96.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.461 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 35.4 m -91.69 -30.55 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.465 ' N ' HG22 ' A' ' 26' ' ' THR . . . 43.71 -130.14 6.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 p -74.35 -27.93 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.377 . . . . 0.0 111.119 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.9 p -83.93 29.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.177 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.461 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -97.16 178.11 32.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.506 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.494 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 3.9 m-85 -133.59 106.74 7.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -63.88 165.96 7.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.3 t -134.33 165.38 25.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -52.9 -32.16 43.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.1 p -72.78 -20.23 61.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.68 -32.57 7.0 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.53 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.422 ' CB ' HD21 ' A' ' 29' ' ' LEU . 13.9 m -57.0 166.04 1.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.928 0.394 . . . . 0.0 110.893 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.444 HG22 ' CG2' ' A' ' 35' ' ' VAL . 5.7 m -115.79 129.98 56.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 4.4 m-85 -123.35 175.63 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.8 p -98.98 169.21 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.494 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -51.73 -19.15 4.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.1 m -85.91 -50.26 7.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -103.58 33.47 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -75.95 -34.38 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -75.94 152.96 84.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.701 0.763 . . . . 0.0 110.915 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.77 -37.04 9.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.2 -35.08 76.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -74.85 -30.93 61.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.539 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.8 p-80 -125.14 114.85 19.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -45.4 96.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.408 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 6.6 t -72.93 104.92 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -41.55 98.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -46.83 132.24 11.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -58.97 129.56 42.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.408 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 8.1 m-85 -93.51 178.96 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -117.96 161.44 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.46 66.63 1.29 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.92 -18.51 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 111.112 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.6 119.42 3.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.4 170.64 13.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.18 85.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 3.15 2.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.6 m -72.39 165.06 25.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.7 t -95.31 45.89 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.435 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t 54.2 42.1 31.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 t -50.17 172.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.56 -158.62 11.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.4 m -140.09 155.46 47.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -155.02 160.62 41.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.12 -138.49 2.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.6 p -151.93 109.42 3.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -76.55 168.02 20.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.8 137.41 3.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.445 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.56 62.79 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -125.99 98.24 5.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 81.3 p -134.72 153.52 51.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.87 -61.27 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.101 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.54 81.45 8.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.39 155.99 2.25 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.565 0.698 . . . . 0.0 111.074 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 152.35 69.34 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.307 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -38.97 -60.54 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.56 139.69 1.91 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.721 . . . . 0.0 110.863 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 118.69 5.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 150.19 67.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -57.53 -46.91 83.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 m -128.32 135.26 49.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.2 p -84.0 119.45 24.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -149.53 177.32 9.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.438 HG22 ' CG2' ' A' ' 35' ' ' VAL . 24.0 m -110.6 125.1 53.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.159 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -152.15 163.21 39.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -51.62 168.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.438 HD21 ' CZ ' ' A' ' 48' ' ' PHE . 39.8 tp -104.61 -11.35 16.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -111.99 -42.85 3.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -109.98 0.39 18.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.0 m120 42.89 47.75 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -98.57 131.61 44.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -42.75 105.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.479 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 34.0 m -109.13 -20.87 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.95 -129.3 4.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.59 -36.68 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.938 0.399 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.6 p -57.35 -27.02 61.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.183 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.479 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -42.13 161.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.453 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 5.2 m-85 -114.21 116.92 29.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.95 0.405 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -70.04 150.11 46.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.0 t -120.7 163.85 17.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -53.21 -28.13 25.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.8 p -75.34 -21.08 58.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.7 -32.43 7.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -60.11 165.43 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.963 0.411 . . . . 0.0 110.831 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.441 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 17.7 m -108.1 148.73 29.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 47' ' ' THR . 8.8 m-85 -142.06 174.3 10.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.3 p -100.51 163.42 12.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.453 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -46.2 -22.84 1.01 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.435 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.8 m -82.39 -47.92 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.342 . . . . 0.0 111.137 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -106.58 32.68 4.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -75.63 -37.4 59.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -75.08 152.37 86.33 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 110.967 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.461 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.9 Cg_endo -69.75 -40.15 5.68 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.706 2.271 . . . . 0.0 112.328 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -60.78 -30.22 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.0 p -78.28 -31.18 48.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.7 p-80 -124.0 116.5 22.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -47.26 93.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' HIS . 4.7 t -62.45 126.32 26.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -76.88 -45.39 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -48.82 135.97 14.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.93 117.37 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 13.2 m-85 -75.36 -178.92 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -83.23 39.41 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.64 42.71 1.05 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.5 m -102.3 132.2 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.46 96.1 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.0 t -112.14 110.61 20.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.93 75.02 1.09 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -12.45 32.82 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.373 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.8 t -48.87 141.53 7.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 98.2 p -72.82 153.91 40.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.482 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -169.04 171.15 8.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.924 0.392 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -134.97 175.48 9.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.18 -163.95 11.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.0 p -164.64 162.17 21.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -167.0 173.35 9.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.26 141.94 7.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.5 p -124.74 131.27 53.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.1 mmm-85 -95.38 -49.82 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.25 -174.41 26.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.59 -102.02 2.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.534 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -116.97 109.96 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.9 p -106.06 177.95 4.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.87 45.22 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 50.53 39.1 20.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.84 142.51 0.75 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 93.05 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 tp -171.29 156.48 4.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -42.58 151.73 0.37 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.621 0.724 . . . . 0.0 110.846 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 118.81 5.9 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -165.72 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.289 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.54 109.66 21.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.7 t 40.32 54.36 2.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.1 m -130.8 94.48 3.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.3 -56.67 6.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.433 HG22 ' CG2' ' A' ' 35' ' ' VAL . 8.4 m -162.48 127.33 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -145.65 173.38 12.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.417 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 9.9 t -66.4 167.74 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.5 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 40.4 tp -102.79 -10.84 18.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -114.3 -41.58 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 28' ' ' CYS . 23.4 p -105.93 -7.97 17.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 m120 53.24 36.84 23.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -92.42 139.16 30.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -56.31 105.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.459 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 34.7 m -101.29 -25.85 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.418 ' N ' HG22 ' A' ' 26' ' ' THR . . . 40.94 -127.81 3.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -77.98 -24.98 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.8 p -85.26 28.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.459 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -96.72 177.61 33.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.538 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 2.9 m-85 -132.15 106.87 8.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 110.846 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -62.26 167.17 4.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.6 t -137.45 163.06 32.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -52.17 -31.49 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.9 p -70.05 -23.25 63.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.0 -27.93 13.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.424 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.3 m -65.63 167.46 9.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.981 0.42 . . . . 0.0 110.862 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.41 HG22 ' CG2' ' A' ' 35' ' ' VAL . 6.6 m -110.58 141.63 43.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 6.0 m-85 -134.18 173.82 11.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.8 p -97.41 171.64 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.538 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -55.24 -16.53 9.37 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.7 m -87.42 -45.49 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 111.141 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -109.51 31.59 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -73.55 -39.91 64.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -75.85 152.12 84.66 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.74 . . . . 0.0 110.92 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.449 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.4 Cg_endo -69.81 -49.14 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -48.89 -33.2 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -76.72 -31.12 56.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 11.0 p-80 -126.19 115.2 19.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -46.69 94.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.476 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 4.5 t -64.07 117.52 7.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -68.51 -44.0 75.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -52.38 132.54 34.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.45 113.38 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 24.6 m-85 -66.43 -179.21 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -81.13 44.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' LYS . . . 34.81 48.41 0.71 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.445 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.6 p -122.54 134.18 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.375 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.29 146.57 53.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 99.5 p -80.08 143.33 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.4 103.5 0.17 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 3.38 2.82 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 t 73.42 42.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.9 t -90.33 131.14 36.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.521 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 t -163.47 139.87 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -101.12 144.34 30.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.57 80.88 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.452 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -158.95 157.87 32.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -162.24 128.33 3.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.74 -128.54 1.03 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.2 p -145.05 115.53 7.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.724 0.297 . . . . 0.0 111.155 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.17 85.72 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.89 86.5 1.69 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -137.49 -61.83 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.1 42.16 10.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.832 0.349 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.1 p -104.53 90.35 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.17 130.92 19.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.99 107.79 5.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -165.51 153.13 9.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.9 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.398 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mp -68.56 85.54 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.84 156.15 34.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.665 0.745 . . . . 0.0 110.815 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 155.6 65.29 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.697 2.265 . . . . 0.0 112.299 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 90.08 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.649 2.232 . . . . 0.0 112.319 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -101.55 -47.59 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.5 m -124.29 77.56 1.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.1 m -58.93 97.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -168.0 156.19 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 36' ' ' GLY . 41.3 m -93.63 121.14 34.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.3 mtt85 -148.53 170.54 17.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -61.14 169.11 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 14.3 tp -106.19 -11.73 15.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 m -108.63 -46.01 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.1 p -106.67 -9.52 16.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.0 t30 55.71 48.5 18.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -100.72 133.98 44.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -48.37 102.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.459 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 34.3 m -100.91 -28.89 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.443 ' N ' HG23 ' A' ' 26' ' ' THR . . . 43.85 -132.47 6.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.9 p -76.3 -24.96 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.5 p -87.79 33.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.459 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -97.1 -169.24 33.38 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 5.4 m-85 -139.79 110.61 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.882 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -70.25 160.58 31.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.7 t -131.1 165.01 24.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -52.75 -31.71 39.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 p -72.24 -20.8 61.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.62 -32.29 7.26 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.407 ' CB ' HD23 ' A' ' 29' ' ' LEU . 3.5 m -58.71 164.23 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.932 0.396 . . . . 0.0 110.894 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.9 m -111.38 140.18 46.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 3.0 m-85 -132.77 178.32 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.8 p -95.86 -174.65 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.443 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -79.82 24.31 3.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.6 m -129.03 -29.84 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.82 0.343 . . . . 0.0 111.177 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 53' ' ' ARG . 45.7 m80 -114.25 -8.12 12.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.823 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 52' ' ' HIS . 3.8 ptm180 -36.67 -34.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 52' ' ' HIS . 8.2 m-85 -72.77 148.88 90.1 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.734 0.778 . . . . 0.0 110.91 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.429 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.78 -38.72 7.37 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.33 -34.66 74.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 t -74.02 -32.05 63.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.531 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 15.9 p-80 -124.8 114.75 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -47.55 94.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.2 t -63.52 133.24 53.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -86.46 -39.69 16.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -59.16 113.9 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.26 120.94 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -69.15 179.43 1.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -55.08 -48.62 73.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.39 62.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' ALA . 8.9 p -128.16 -37.94 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -33.85 138.17 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.3 m -52.77 -55.95 19.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 155.94 -76.18 0.21 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 143.09 49.55 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 t -153.4 150.12 28.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.2 m -41.14 159.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.53 -179.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.4 p -150.87 118.57 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.363 . . . . 0.0 110.874 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -161.69 158.9 26.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.36 117.63 1.24 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -154.73 116.21 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -163.62 172.85 13.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.8 63.75 0.46 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.2 m -106.17 144.06 33.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 111.156 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.47 172.05 8.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.5 -158.36 19.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.21 109.05 2.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.529 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -104.75 45.97 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.4 p -113.2 83.66 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.65 138.09 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.52 30.33 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.28 104.08 0.37 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.537 0.684 . . . . 0.0 111.065 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' ASP . 53.5 Cg_endo -69.77 -176.35 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.391 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mp -60.73 78.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' PRO . 2.6 m-20 -140.8 156.41 68.82 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.588 0.708 . . . . 0.0 110.858 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 169.94 17.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 88.93 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' SER . 10.4 tmtt? -150.56 130.36 13.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' LYS . 13.9 t -33.17 118.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -119.79 163.47 17.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -107.93 -176.94 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 36' ' ' GLY . 2.9 m -138.39 119.82 14.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -142.15 169.56 17.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 8.6 t -58.21 168.5 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.555 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 52.5 tp -101.98 -11.9 18.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 m -116.69 -39.13 3.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.404 ' SG ' ' CB ' ' A' ' 28' ' ' CYS . 16.7 p -108.71 0.29 20.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 41.66 44.05 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -95.57 136.99 35.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -52.33 98.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.467 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 32.6 m -95.51 -27.55 4.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.462 ' N ' HG23 ' A' ' 26' ' ' THR . . . 37.05 -135.52 0.74 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.34 -11.25 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.931 0.396 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -99.31 30.85 3.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.467 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -99.42 -175.23 31.33 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.513 ' N ' ' CD1' ' A' ' 40' ' ' PHE . 1.4 m-85 -134.49 105.77 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.399 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -62.75 154.73 28.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.1 t -132.33 166.81 21.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -55.81 -30.66 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -74.53 -0.95 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.63 -35.54 3.04 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 m -56.08 165.45 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.406 HG23 ' CG2' ' A' ' 35' ' ' VAL . 22.5 m -115.4 133.63 55.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 2.2 m-85 -126.28 173.66 9.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.1 p -92.62 -174.33 3.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.411 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -79.63 19.75 5.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 83.7 m -124.62 -25.23 4.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.114 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -120.52 -1.54 10.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -42.85 -36.47 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.45 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 5.2 m-85 -68.21 145.72 97.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.692 0.758 . . . . 0.0 110.909 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.578 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.81 -31.54 20.1 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.626 2.218 . . . . 0.0 112.36 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -76.15 -23.47 54.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -83.79 -27.69 28.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 6.8 p-80 -119.58 167.16 12.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -83.6 87.16 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.498 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 4.6 t -73.98 84.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -52.27 -50.59 61.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -39.15 126.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.03 108.45 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.498 ' CZ ' ' SG ' ' A' ' 60' ' ' CYS . 51.0 m-85 -61.02 -51.97 66.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -172.99 172.02 4.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -44.02 -30.96 1.9 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.473 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 68' ' ' ALA . 9.0 p -43.79 -28.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.467 ' N ' HG12 ' A' ' 67' ' ' VAL . . . 36.13 48.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.066 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.3 p -100.59 -49.71 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.49 -145.62 42.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.54 21.45 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 t -170.73 157.49 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 m -111.76 -61.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.523 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -156.5 142.08 17.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.912 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -172.74 161.79 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.56 -137.38 2.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 t -156.13 159.97 39.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 m -149.09 161.61 41.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.9 -143.74 4.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.5 m -143.75 115.86 8.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 111.164 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.78 118.42 35.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.58 -133.42 2.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.9 92.57 2.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -100.19 163.79 12.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 t -53.15 97.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.13 110.51 5.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.7 109.84 22.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -146.43 153.36 47.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 172.02 13.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 0.0 112.321 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 mt -48.94 -55.4 11.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -82.33 151.77 66.45 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.625 0.726 . . . . 0.0 110.861 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 115.39 4.07 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 155.33 66.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.722 2.282 . . . . 0.0 112.333 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -49.6 -26.8 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.419 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 64.6 p -165.73 153.32 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 t -49.23 133.92 18.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.162 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -170.41 -178.12 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 36' ' ' GLY . 13.9 m -157.96 110.55 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.097 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -140.92 168.12 20.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -53.96 168.06 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.426 HD22 ' CZ ' ' A' ' 48' ' ' PHE . 51.3 tp -103.92 -10.63 18.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -114.32 -39.33 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.0 p -112.19 1.52 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 m120 41.07 51.64 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -101.87 139.09 37.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -50.29 101.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.459 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 26.8 m -104.45 -20.46 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.459 ' N ' HG23 ' A' ' 26' ' ' THR . . . 40.42 -123.24 2.21 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.8 p -85.79 -33.07 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.377 . . . . 0.0 111.12 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -61.19 -18.18 56.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.459 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -47.28 166.02 0.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.4 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 15.8 m-85 -120.45 99.84 6.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.937 0.398 . . . . 0.0 110.919 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 3.4 tppp? -49.39 151.45 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 13.5 t -129.75 168.07 17.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -56.23 -29.42 60.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.9 p -77.45 0.8 21.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.52 -20.06 6.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.411 ' CB ' HD23 ' A' ' 29' ' ' LEU . 3.4 m -68.44 171.99 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.93 0.395 . . . . 0.0 110.897 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.4 m -118.07 128.46 54.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 48' ' ' PHE . 3.4 m-85 -121.51 175.67 6.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.4 p -98.22 171.9 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.4 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -54.92 -14.14 5.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.7 m -91.09 -50.08 6.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.849 0.357 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -101.85 30.4 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -70.33 -38.23 74.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.45 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 1.7 m-85 -71.61 148.58 92.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.672 0.749 . . . . 0.0 110.919 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.568 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.77 -40.62 5.09 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.341 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -67.98 -21.25 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 m -78.5 -32.82 48.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 17.3 p-80 -118.37 177.69 4.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -87.96 86.93 7.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.1 t -70.46 91.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -52.53 -51.49 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -44.69 146.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -88.36 118.71 28.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -59.88 -175.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -77.11 48.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.25 52.72 45.02 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -139.11 126.12 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 111.148 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.46 98.41 4.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 p -150.81 109.3 3.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.814 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 162.24 64.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -43.18 2.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.644 2.23 . . . . 0.0 112.327 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.0 t -107.83 124.05 49.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.4 p -63.74 83.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.48 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m 55.3 44.86 26.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -146.23 144.95 30.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.29 -173.64 15.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -167.01 153.1 8.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.821 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 m -156.94 169.47 24.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' HA3' ' CZ ' ' A' ' 9' ' ' ARG . . . -113.59 144.32 18.13 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.7 p -91.95 48.65 1.45 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.764 0.316 . . . . 0.0 111.161 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.445 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -142.65 142.43 32.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.87 -133.72 5.71 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.64 -46.62 1.13 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -43.45 -44.5 5.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.3 m -134.88 102.26 5.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.71 160.97 10.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.15 115.88 9.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.93 147.19 2.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.555 0.693 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -163.73 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.631 2.221 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 19' ' ' ASP . 2.8 pp -42.56 163.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 18' ' ' LEU . 7.9 p-10 -34.07 97.57 0.12 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.57 0.7 . . . . 0.0 110.906 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 18' ' ' LEU . 53.9 Cg_endo -69.73 169.94 17.7 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.665 2.243 . . . . 0.0 112.346 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 170.88 15.55 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.695 2.264 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -40.2 -43.83 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.1 m -89.7 148.74 23.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.9 m -122.08 129.35 52.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.24 176.1 5.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 36' ' ' GLY . 4.3 m -134.06 110.85 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -134.14 171.2 14.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -60.8 170.62 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 28.3 tp -101.38 -15.38 17.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 m -112.51 -43.44 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 p -105.45 2.24 28.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 m120 39.18 44.89 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -94.51 135.33 36.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 tptm -52.13 96.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.428 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 28.4 m -95.71 -25.34 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' N ' HG23 ' A' ' 26' ' ' THR . . . 36.82 -128.31 1.09 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -72.21 -26.39 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 111.174 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.3 p -83.52 27.06 0.62 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.428 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -98.26 168.39 23.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 3.3 m-85 -125.24 104.94 8.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.13 164.04 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.7 t -133.22 164.65 26.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -52.97 -30.7 36.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.0 p -74.43 -20.32 60.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.3 -32.35 7.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 m -56.79 166.8 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.942 0.401 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -114.71 132.86 56.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 4.6 m-85 -125.86 172.84 9.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.3 p -98.06 170.86 8.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.449 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -52.72 -15.96 3.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.4 m -88.4 -53.46 4.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 111.15 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -100.66 34.92 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 9.6 ptt180 -76.61 -33.94 58.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.4 ' CE1' ' HG2' ' A' ' 53' ' ' ARG . 2.8 m-85 -77.08 151.71 81.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.696 0.76 . . . . 0.0 110.931 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.499 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.82 -42.88 2.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.246 . . . . 0.0 112.306 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.11 -32.51 66.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -76.35 -30.36 57.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.6 p-80 -125.24 114.12 18.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -45.62 94.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' HIS . 4.4 t -63.54 115.8 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -69.13 -45.11 70.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -52.06 126.41 18.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.34 119.05 6.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -72.92 -179.03 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -81.23 47.04 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.29 40.7 98.12 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.0 t -111.17 140.95 28.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 111.078 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -110.97 87.37 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 99.7 p -59.82 167.7 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -111.33 103.08 1.52 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.473 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 1.72 4.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.64 2.226 . . . . 0.0 112.373 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.2 p -87.84 153.13 21.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.2 t -91.86 -46.49 7.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.47 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -135.89 174.7 10.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t -147.5 147.57 30.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.91 128.72 2.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -123.97 154.25 40.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -148.92 163.52 37.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.65 74.21 0.3 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.3 p -139.63 134.59 32.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.76 0.314 . . . . 0.0 111.17 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -124.58 125.72 44.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.81 134.35 1.63 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.464 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.91 -154.11 9.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.501 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -116.91 -63.1 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.4 m 59.11 42.78 18.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.28 164.02 38.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.83 97.67 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -151.22 109.53 3.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.573 0.701 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -177.43 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -53.32 107.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.02 154.18 44.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.423 ' C ' ' H ' ' A' ' 22' ' ' LYS . 53.6 Cg_endo -69.83 170.08 17.5 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 8.3 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.632 2.221 . . . . 0.0 112.354 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 20' ' ' PRO . 10.7 ttpt -88.04 158.54 18.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -53.86 95.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.4 p -120.03 165.23 14.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.45 169.95 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 27' ' ' ARG . 3.0 m -71.21 137.1 48.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.112 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.404 ' N ' HG23 ' A' ' 26' ' ' THR . 70.2 mtt180 -156.15 168.39 27.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -55.62 167.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.479 HD22 ' CZ ' ' A' ' 48' ' ' PHE . 17.8 tp -106.39 -10.8 16.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -108.11 -46.32 3.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.5 p -105.76 -11.41 16.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 58.24 44.49 18.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -96.76 141.33 30.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -51.08 110.78 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.485 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 8.8 m -117.21 -13.77 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 35' ' ' VAL . . . 31.71 -102.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.461 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 38' ' ' THR . 7.5 p -93.88 -45.07 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 111.1 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.412 ' N ' HG12 ' A' ' 37' ' ' VAL . 30.8 p -48.05 -22.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.485 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -43.01 158.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -124.71 108.14 11.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -57.6 151.54 16.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.6 t -130.32 165.28 22.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 -53.07 -26.4 15.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 7.6 p -81.06 10.15 5.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.97 31.05 74.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.0 m -116.77 166.57 11.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m -112.85 126.9 55.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.55 ' CE2' ' CD2' ' A' ' 58' ' ' HIS . 11.9 m-85 -123.63 178.3 5.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.4 p -101.01 161.85 13.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.74 -19.7 0.54 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.2 m -85.17 -47.52 10.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 111.148 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -106.72 31.63 5.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -73.67 -36.3 65.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.439 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 3.3 m-85 -72.63 146.87 88.95 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.676 0.75 . . . . 0.0 110.91 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -38.83 7.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.4 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 pm0 -68.2 -30.79 69.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.3 m -74.62 -33.19 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.55 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 9.9 p-80 -120.45 120.57 36.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -43.12 97.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.1 t -76.95 95.96 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -47.8 -41.07 22.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.4 ' CE2' ' O ' ' A' ' 63' ' ' ASP . 31.6 t80 -50.38 142.79 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.4 ' O ' ' CE2' ' A' ' 62' ' ' PHE . 6.7 m-20 -69.74 136.79 51.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -105.06 -61.16 1.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -114.93 40.54 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.07 48.33 48.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.3 p -109.81 135.79 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.03 124.12 8.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.7 p -93.81 124.5 37.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.81 89.83 0.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 179.13 3.92 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t -53.96 150.15 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.0 m -98.91 127.81 44.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.489 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -160.4 151.54 19.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.856 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.7 m -126.04 169.06 13.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.9 -124.06 0.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -128.8 131.8 47.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.7 p -162.97 158.29 22.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.23 131.49 1.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 m -157.27 137.72 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 111.157 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.1 ptt85 -81.43 149.18 28.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.45 121.33 25.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.465 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.06 123.88 8.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.8 -52.86 36.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.6 m -123.74 87.02 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.823 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.78 125.23 45.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.077 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.51 96.1 8.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.71 154.25 2.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.568 0.699 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 18' ' ' LEU . 53.6 Cg_endo -69.73 179.04 3.96 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 17' ' ' PRO . 3.8 tt -34.29 -52.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -141.23 118.6 7.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.89 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 137.63 35.7 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -24.21 29.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.37 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -126.21 164.56 20.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 22' ' ' LYS . 17.5 m -35.75 138.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.2 t -53.63 119.76 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -156.25 175.05 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 36' ' ' GLY . 8.4 m -103.49 125.48 50.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.417 ' HG3' ' C ' ' A' ' 26' ' ' THR . 74.3 mtt-85 -150.1 163.26 38.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.8 t -51.03 168.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.496 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 23.3 tp -105.15 -12.76 15.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.4 m -107.09 -47.08 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.7 -12.58 16.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 58.46 47.32 13.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.48 141.65 33.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -51.85 101.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.477 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 31.8 m -105.06 -21.78 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.435 ' N ' HG23 ' A' ' 26' ' ' THR . . . 41.32 -125.42 3.24 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 38' ' ' THR . 8.0 p -79.15 -45.55 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 111.104 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.405 ' N ' HG11 ' A' ' 37' ' ' VAL . 72.4 p -49.11 -32.43 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.477 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -38.32 156.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.403 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 8.5 m-85 -109.77 122.06 46.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.863 0.363 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tttm -72.55 150.26 43.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.8 t -121.99 164.65 17.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -53.06 -28.91 27.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 p -75.58 -20.43 58.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.17 -32.2 7.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.469 ' CB ' HD22 ' A' ' 29' ' ' LEU . 13.4 m -58.02 166.62 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.41 . . . . 0.0 110.845 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.422 HG21 ' CG2' ' A' ' 35' ' ' VAL . 7.5 m -110.45 139.76 45.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 14.9 m-85 -132.93 177.49 7.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.8 p -102.88 167.59 9.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -51.01 -19.02 3.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 m -86.2 -48.6 8.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.796 0.331 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -106.39 34.98 3.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -76.15 -38.65 56.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -72.66 153.09 91.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.719 0.771 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.462 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.3 Cg_endo -69.79 -36.2 11.15 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.685 2.256 . . . . 0.0 112.303 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -63.12 -36.43 83.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -70.67 -31.47 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.533 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 15.5 p-80 -124.96 114.14 18.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -45.86 92.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 58' ' ' HIS . 5.1 t -63.49 129.23 39.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -80.76 -42.52 21.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -49.36 141.93 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.52 111.28 11.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -63.06 -178.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -95.47 177.76 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.39 -32.8 85.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.9 m -38.96 102.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 111.166 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' SER . . . -128.61 73.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 68' ' ' ALA . 4.1 m 34.09 41.41 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.28 121.74 5.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -36.64 10.47 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.374 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.8 p -160.65 154.04 21.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 56.0 p -114.91 103.38 10.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.509 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -150.79 110.39 4.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.868 0.366 . . . . 0.0 110.907 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -155.25 176.36 12.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.08 -176.06 17.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -123.81 96.55 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.833 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -108.62 155.15 21.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.76 136.65 5.79 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.55 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.479 ' O ' ' CG2' ' A' ' 8' ' ' THR . 11.5 t -97.51 95.95 7.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 111.176 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -126.33 -43.62 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.48 -127.1 1.68 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.514 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.75 -45.24 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.38 112.29 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.817 0.341 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 t -100.35 165.64 11.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.1 81.06 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 43.53 40.38 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.5 158.97 47.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -172.7 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.667 2.244 . . . . 0.0 112.33 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -55.35 -55.2 34.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.82 150.36 95.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.554 0.693 . . . . 0.0 110.887 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.84 11.48 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 145.68 57.84 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.348 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -60.3 -39.96 88.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.6 t -120.3 148.23 43.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -86.48 44.67 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.78 164.38 26.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 36' ' ' GLY . 5.7 m -109.72 126.3 53.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -149.36 168.19 24.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 t -58.07 167.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.55 HD22 ' CZ ' ' A' ' 48' ' ' PHE . 21.5 tp -103.08 -11.82 17.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -112.74 -43.6 3.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.2 p -104.22 -6.06 21.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.5 t30 50.22 40.45 22.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -94.34 140.33 29.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.65 106.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.21 -24.43 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.46 ' N ' HG23 ' A' ' 26' ' ' THR . . . 39.92 -117.2 0.81 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 p -86.44 -23.78 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.3 p -84.16 31.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -99.87 -176.76 30.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -138.52 112.49 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.923 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -65.74 158.35 27.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.1 t -136.37 164.87 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -51.33 -27.03 8.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 p -81.09 15.15 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.34 27.96 48.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -111.7 167.22 10.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 110.883 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.5 m -115.45 123.21 48.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.55 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 1.6 m-85 -119.82 176.25 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.3 p -92.88 -176.3 4.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.19 19.95 6.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.0 m -126.15 -24.23 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 111.157 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -118.45 -6.93 10.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -39.57 -36.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -72.05 144.11 87.16 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.715 0.769 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.42 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 54.2 Cg_endo -69.75 -42.43 3.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.246 . . . . 0.0 112.364 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -54.14 -29.83 46.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.8 t -84.17 -27.63 27.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 6.7 p-80 -127.9 116.95 20.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.6 90.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 8.2 t -59.53 110.22 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -61.23 -37.81 84.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -65.69 121.25 14.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -51.12 137.31 22.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 39.0 m-85 -92.81 178.36 5.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -113.29 -45.23 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.56 69.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 p -114.09 -27.01 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 111.128 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.01 40.6 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.8 t -78.59 93.36 4.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.819 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -146.35 -158.09 7.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 121.66 8.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.244 . . . . 0.0 112.359 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.0 t -50.36 161.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.2 p -80.79 167.02 20.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.507 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 t -168.63 127.13 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.816 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 t -174.64 165.55 3.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.61 -172.02 20.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -146.97 117.48 7.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.884 0.373 . . . . 0.0 110.832 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 t -76.84 -53.59 7.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.61 138.69 8.81 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.8 p -130.99 116.42 17.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.735 0.302 . . . . 0.0 111.129 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -92.2 161.99 14.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.65 106.36 0.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.91 118.22 4.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -141.2 109.71 5.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 m -53.2 152.22 4.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.91 124.78 43.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.32 44.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.27 156.15 27.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.562 0.696 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -172.82 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.377 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -39.51 103.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -110.0 153.32 43.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.678 0.751 . . . . 0.0 110.86 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.444 ' C ' ' H ' ' A' ' 22' ' ' LYS . 53.5 Cg_endo -69.79 170.07 17.46 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 12.59 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 23' ' ' SER . 10.0 tmtt? -75.39 150.98 38.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.475 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 29.1 t -34.97 -48.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.6 m 40.28 49.17 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.43 172.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.444 HG21 ' CG2' ' A' ' 35' ' ' VAL . 16.1 m -80.38 119.74 23.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -143.92 167.63 21.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.6 t -58.72 167.8 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.51 HD23 ' CZ ' ' A' ' 48' ' ' PHE . 46.1 tp -101.65 -10.31 20.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -115.68 -44.37 2.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.2 p -103.77 -2.15 26.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.6 m120 46.04 37.23 3.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' O ' HG11 ' A' ' 35' ' ' VAL . 20.5 ttmt -88.11 140.68 29.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -57.67 98.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.453 ' CG2' HG21 ' A' ' 47' ' ' THR . 27.6 m -95.25 -29.38 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.403 ' N ' HG21 ' A' ' 26' ' ' THR . . . 42.9 -131.3 5.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 p -73.89 -26.73 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.93 0.395 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.6 p -83.18 26.37 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.428 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -92.76 -174.41 41.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 1.8 m-85 -143.31 109.01 5.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -64.24 164.2 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.5 t -134.26 164.64 26.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -51.66 -33.1 32.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -71.04 -22.14 62.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.63 -30.19 9.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.3 m -62.48 164.78 6.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.889 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.453 HG21 ' CG2' ' A' ' 35' ' ' VAL . 6.6 m -108.56 140.43 41.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.164 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.51 ' CZ ' HD23 ' A' ' 29' ' ' LEU . 8.9 m-85 -132.98 173.81 11.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.9 p -99.86 166.73 10.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.83 -24.21 4.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.2 m -80.86 -48.25 12.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 111.169 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -106.34 31.72 4.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 9.7 ptt180 -75.45 -32.92 60.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.416 ' CE1' ' HG2' ' A' ' 53' ' ' ARG . 2.6 m-85 -78.25 150.88 77.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.679 0.752 . . . . 0.0 110.886 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.455 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.74 -41.45 4.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 57' ' ' SER . 4.4 pt-20 -59.03 -32.42 69.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.446 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 2.5 m -75.61 -31.32 59.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 13.4 p-80 -124.59 114.88 19.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -45.22 96.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.33 120.83 13.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -73.32 -45.82 53.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -57.13 132.2 52.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -59.48 138.8 57.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.409 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 15.6 m-85 -90.64 30.77 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 65' ' ' LYS . 21.9 tttp 64.06 52.26 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 41.1 69.83 0.47 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.493 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 64' ' ' PHE . 13.9 p -137.61 145.31 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.346 . . . . 0.0 111.087 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.08 174.45 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.4 p -102.92 148.56 25.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -110.46 84.89 0.38 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.434 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 91.12 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.707 2.271 . . . . 0.0 112.335 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 p -72.49 108.12 5.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 m -124.1 43.42 3.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.521 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 p -134.2 166.81 21.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.875 0.369 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -146.98 176.05 10.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.63 -170.75 14.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -153.15 164.82 37.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.818 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -166.58 135.77 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.2 145.26 7.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -167.15 164.15 15.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 111.152 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -109.47 162.69 14.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.63 133.58 2.38 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.41 59.15 3.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.512 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -111.45 97.62 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.7 m -131.76 166.66 21.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.84 109.72 15.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.01 39.85 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -157.72 125.88 2.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.527 0.679 . . . . 0.0 111.077 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -172.38 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.7 2.266 . . . . 0.0 112.367 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tp -46.97 118.44 2.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -149.39 161.62 31.32 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.61 0.719 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.94 17.74 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.744 2.296 . . . . 0.0 112.317 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 110.84 2.65 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 23' ' ' SER . 8.9 ttmm -167.82 149.87 5.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.45 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 3.7 m -38.0 124.53 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 t -53.57 148.73 9.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.87 171.29 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 36' ' ' GLY . 11.1 m -130.44 122.18 27.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.4 mtt85 -146.49 173.08 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.9 t -65.92 167.76 9.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.447 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 46.2 tp -103.91 -10.01 18.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 m -112.33 -45.27 3.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.797 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.4 p -105.32 -9.17 17.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 51.5 t30 53.49 45.21 28.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -96.7 139.34 32.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -55.6 97.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.481 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 34.6 m -94.42 -29.45 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.467 ' N ' HG22 ' A' ' 26' ' ' THR . . . 42.05 -133.65 4.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.8 p -72.15 -24.73 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 111.151 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -87.0 29.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.481 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -98.9 178.24 30.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.486 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 6.6 m-85 -130.54 102.96 6.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 110.836 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.31 165.13 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.9 t -136.01 166.13 24.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -54.2 -30.84 51.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 p -79.14 7.85 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.1 -38.5 2.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.443 ' CB ' HD21 ' A' ' 29' ' ' LEU . 3.9 m -51.57 166.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 110.864 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.2 m -116.57 139.64 50.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.472 ' CE2' ' CD2' ' A' ' 58' ' ' HIS . 6.7 m-85 -130.21 172.49 11.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.4 p -97.54 170.95 8.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.486 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -53.26 -19.63 8.52 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.6 m -85.64 -48.85 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -104.45 32.6 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.2 ptt85 -73.87 -36.37 64.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -75.79 152.29 84.83 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.686 0.755 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.3 Cg_endo -69.73 -43.33 2.75 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -54.8 -34.89 63.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 t -73.75 -31.45 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.566 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 12.2 p-80 -126.13 113.15 16.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -45.69 96.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.468 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 2.9 t -63.92 125.7 25.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -79.47 -46.12 18.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.429 ' CE2' ' O ' ' A' ' 63' ' ' ASP . 33.0 t80 -52.25 125.13 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.429 ' O ' ' CE2' ' A' ' 62' ' ' PHE . 11.6 t0 -49.55 129.5 19.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 6.9 m-85 -88.26 177.49 6.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 66' ' ' GLY . 53.7 mtmt -122.99 81.94 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' LYS . . . 34.32 58.97 0.66 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.9 p -106.78 145.31 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.118 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.97 105.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -174.77 174.88 2.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.34 174.51 35.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 87.23 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.69 2.26 . . . . 0.0 112.294 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.2 t -55.81 161.33 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.7 t -43.72 104.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.465 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 t -162.4 165.55 26.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -161.57 173.64 14.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.32 168.61 11.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -65.21 157.11 29.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 m -92.49 141.52 28.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.45 -143.08 10.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.0 m -61.03 93.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 111.131 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -108.86 148.73 30.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.49 -156.27 15.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.512 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.61 -179.67 35.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -161.04 158.84 28.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.748 0.309 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.3 t -96.21 83.16 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.08 163.17 40.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.49 95.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -157.78 129.79 4.08 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.531 0.681 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -174.89 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 pp -40.82 -34.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -123.88 135.78 26.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.878 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 135.53 30.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 156.07 64.52 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.726 2.284 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.94 -50.04 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 24' ' ' THR . 30.8 t -128.43 122.24 30.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' SER . 22.8 p -34.03 136.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.099 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -150.22 166.93 28.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.411 HG23 ' CG2' ' A' ' 35' ' ' VAL . 16.2 m -132.55 116.0 16.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -144.26 172.56 12.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -61.41 168.76 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 12.2 tp -106.23 -13.0 15.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -108.32 -44.59 4.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.7 p -107.3 -7.29 16.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.81 46.18 26.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -97.07 137.25 36.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -50.17 105.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.411 ' CG2' HG23 ' A' ' 26' ' ' THR . 34.7 m -106.83 -19.6 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.2 -118.85 1.4 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.2 p -95.28 -21.23 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.941 0.4 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.7 p -84.72 28.57 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.437 ' C ' ' CD1' ' A' ' 40' ' ' PHE . . . -86.86 -157.94 31.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 27.7 m-85 -148.77 106.47 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER -65.7 155.39 36.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 48.8 t -134.92 165.83 24.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -51.03 -34.68 30.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.6 p -68.68 -22.35 64.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.83 -26.32 24.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -63.22 165.52 7.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.412 . . . . 0.0 110.839 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.3 m -109.93 134.52 52.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 5.5 m-85 -129.4 174.65 9.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.0 p -94.66 -177.98 4.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.85 3.55 9.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.426 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.5 m -109.66 -37.57 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 111.159 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -114.17 32.38 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.409 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 7.7 ptt85 -76.24 -35.8 58.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.459 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 3.5 m-85 -71.41 147.95 93.07 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.663 0.744 . . . . 0.0 110.915 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.57 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.77 -33.71 16.0 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.738 2.292 . . . . 0.0 112.332 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -74.21 -26.04 60.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 m -78.31 -31.34 48.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 7.9 p-80 -116.79 171.37 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -85.39 88.2 7.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.0 t -71.09 92.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' PHE . 82.7 mm-40 -54.96 -50.87 67.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' GLN . 5.9 t80 -35.8 126.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.87 97.56 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -54.43 165.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -101.04 177.97 4.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -50.6 -42.73 44.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.442 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 68' ' ' ALA . 8.7 p -38.29 142.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 111.108 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.459 ' N ' HG23 ' A' ' 67' ' ' VAL . . . -57.19 112.07 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.9 p -70.23 -33.23 71.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.18 156.43 20.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 135.55 30.73 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.734 2.289 . . . . 0.0 112.298 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.1 t -108.65 103.19 12.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.1 p -88.7 -52.03 5.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.157 -0.801 . . . . 0.0 112.486 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m -134.27 107.02 7.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.398 . . . . 0.0 110.841 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -169.53 105.65 0.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.07 69.9 0.2 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 t -109.19 91.43 3.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.8 p -148.71 173.85 12.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.64 101.07 2.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.485 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.1 p -129.97 40.09 3.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.768 0.318 . . . . 0.0 111.12 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -114.04 119.59 37.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.5 -41.92 0.36 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ASP . . . -99.47 48.49 1.26 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' GLY . 5.9 p-10 -36.7 -45.05 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 m -118.13 110.98 18.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.53 -60.34 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.78 88.22 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.66 144.53 0.89 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 174.06 10.04 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.726 2.284 . . . . 0.0 112.331 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -49.32 -37.71 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -81.68 141.85 48.71 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.628 0.727 . . . . 0.0 110.852 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 119.16 6.15 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.644 2.23 . . . . 0.0 112.382 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 107.18 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.258 . . . . 0.0 112.326 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -42.87 -41.84 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.5 t -84.61 103.13 13.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.9 m -77.27 106.62 9.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.162 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -171.65 161.88 6.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.447 HG23 ' CG2' ' A' ' 35' ' ' VAL . 5.7 m -85.11 128.05 34.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -152.2 168.37 25.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -55.91 168.96 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.484 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 21.2 tp -106.06 -13.02 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -107.87 -45.17 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.0 p -106.17 -9.74 16.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 t30 54.76 46.9 23.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -99.42 140.02 34.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -50.08 107.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.447 ' CG2' HG23 ' A' ' 26' ' ' THR . 33.1 m -111.17 -26.11 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.406 ' N ' HG23 ' A' ' 26' ' ' THR . . . 41.65 -110.83 0.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 38' ' ' THR . 7.2 p -88.14 -44.49 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.473 ' N ' HG13 ' A' ' 37' ' ' VAL . 59.5 p -50.06 -24.86 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.417 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -40.46 159.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.486 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -121.83 87.81 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.915 0.388 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -43.6 154.93 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.9 t -129.18 166.2 19.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -51.3 -34.12 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.7 p -69.97 -22.01 63.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.39 -29.18 11.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.533 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.436 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.5 m -61.82 165.12 5.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.966 0.412 . . . . 0.0 110.832 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.6 m -112.17 139.21 47.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.484 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 9.8 m-85 -132.43 177.18 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.7 p -100.39 172.43 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -55.4 -12.25 4.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 m -93.62 -49.76 5.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 111.114 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -103.01 35.26 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -75.85 -37.26 59.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -70.14 151.9 95.86 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.688 0.756 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.578 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.79 -40.4 5.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -67.7 -23.77 65.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.7 p -77.58 -34.3 53.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 6.6 p-80 -114.0 175.81 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -87.71 85.58 7.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.8 96.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -59.03 -49.95 75.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -47.95 132.04 15.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -73.27 121.19 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -71.79 141.54 49.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 66' ' ' GLY . 34.1 mttm -107.11 82.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' LYS . . . 34.76 56.66 0.8 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.2 p -124.26 131.85 72.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.332 . . . . 0.0 111.173 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 51.04 41.39 27.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.5 m -112.45 148.88 33.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 52.93 -169.64 0.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' SER . 53.5 Cg_endo -69.73 113.56 3.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 71' ' ' PRO . 16.5 m -38.0 -51.84 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.8 m -106.26 94.2 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.471 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 m -140.46 148.06 40.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.894 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.0 p -98.05 -33.22 11.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.02 -177.4 21.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 p -155.18 118.06 4.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -104.61 83.33 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.26 -178.96 15.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.533 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.6 m -155.02 133.62 11.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 111.191 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.18 -62.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.41 178.56 19.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 132.27 98.32 0.71 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.03 89.4 6.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.837 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.6 p -137.57 136.0 37.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.48 99.44 5.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.072 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.422 ' C ' ' HD3' ' A' ' 17' ' ' PRO . . . -115.83 68.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' N ' ' CD ' ' A' ' 17' ' ' PRO . . . 37.38 50.61 1.91 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 16' ' ' ALA . 53.5 Cg_endo -69.76 110.63 2.6 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.701 2.268 . . . . 0.0 112.325 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 mp -76.01 -21.86 56.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.72 160.99 74.58 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.577 0.703 . . . . 0.0 110.856 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.422 ' C ' ' H ' ' A' ' 22' ' ' LYS . 54.2 Cg_endo -69.73 170.17 17.18 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 9.27 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.746 2.297 . . . . 0.0 112.339 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.53 ' O ' ' C ' ' A' ' 23' ' ' SER . 25.6 tptt -47.61 166.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.53 ' C ' ' O ' ' A' ' 22' ' ' LYS . 77.4 p -27.11 117.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 25' ' ' ALA . 27.8 m -36.7 150.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.449 ' N ' HG22 ' A' ' 24' ' ' THR . . . -174.21 173.81 3.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -155.21 124.56 6.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -146.93 169.08 19.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -55.8 168.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.513 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 26.7 tp -103.11 -13.86 16.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -110.7 -44.64 3.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.6 p -103.08 -5.1 23.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.3 t30 47.57 44.31 16.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -97.69 144.05 27.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -54.34 106.21 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.487 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 16.3 m -110.34 -20.85 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.61 -116.47 0.66 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 38' ' ' THR . 7.3 p -84.77 -45.09 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.833 0.349 . . . . 0.0 111.085 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.457 ' N ' HG12 ' A' ' 37' ' ' VAL . 69.9 p -48.8 -28.28 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.487 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -39.08 159.78 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.426 ' CE1' ' HA2' ' A' ' 50' ' ' GLY . 16.6 m-85 -116.78 113.94 23.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -65.36 147.46 53.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.8 t -122.31 162.86 20.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.0 mtt-85 -53.75 -28.18 32.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.9 p -75.52 -20.11 58.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.18 -33.52 6.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.468 ' CB ' HD23 ' A' ' 29' ' ' LEU . 4.4 m -59.88 163.99 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.407 . . . . 0.0 110.875 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.5 m -108.54 145.98 33.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 15.3 m-85 -138.2 178.19 7.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' ARG . 20.9 p -103.57 166.37 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.426 ' HA2' ' CE1' ' A' ' 40' ' ' PHE . . . -47.17 -26.73 3.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.3 m -78.82 -49.9 12.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.127 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -105.38 32.63 4.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.414 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . 18.2 ptt85 -74.69 -36.58 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -73.75 149.56 88.15 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.692 0.758 . . . . 0.0 110.95 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.6 Cg_endo -69.69 -35.44 12.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.325 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.43 -32.32 71.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -74.56 -32.02 62.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 6.4 p-80 -119.78 122.1 40.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -46.36 96.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.5 t -75.51 115.39 15.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -64.83 -42.94 94.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.478 ' CE2' ' O ' ' A' ' 63' ' ' ASP . 54.7 t80 -51.46 136.65 25.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.478 ' O ' ' CE2' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -61.01 142.38 56.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -114.16 -50.19 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -130.84 83.29 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 38.5 43.29 1.52 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.509 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.5 p -122.29 142.06 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 111.148 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -128.81 100.87 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.0 m 42.29 42.41 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.08 92.23 0.76 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 124.32 10.97 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.1 m -77.45 128.22 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.2 t -131.62 102.93 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.504 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -79.8 82.58 5.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -54.25 94.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.72 154.73 31.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -51.11 97.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.829 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 p -122.48 42.89 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -155.6 117.49 0.79 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.8 t -35.32 109.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 111.147 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -92.33 127.14 37.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.28 -178.02 19.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.47 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.95 130.2 1.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -93.96 154.83 17.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.6 m -79.96 104.47 10.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.61 173.71 10.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' ALA . . . -97.42 172.57 7.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' ALA . . . -34.04 110.58 0.38 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.497 0.665 . . . . 0.0 111.137 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 177.39 5.62 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.301 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 mp 57.0 41.79 27.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -89.23 145.75 34.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.599 0.714 . . . . 0.0 110.858 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 164.3 35.09 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.724 2.282 . . . . 0.0 112.342 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -21.85 32.59 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.682 2.255 . . . . 0.0 112.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.52 179.09 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.8 p -47.4 127.19 10.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.2 p -142.8 109.28 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.5 -175.12 2.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 36' ' ' GLY . 20.2 m -69.21 125.83 27.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -149.76 169.64 20.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.8 t -60.21 168.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.502 HD21 ' CZ ' ' A' ' 48' ' ' PHE . 32.0 tp -104.67 -11.27 16.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.3 m -111.98 -42.11 3.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.3 p -107.93 -8.25 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 52.5 47.57 24.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -101.35 135.23 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -49.69 103.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.444 ' CG2' HG23 ' A' ' 47' ' ' THR . 34.6 m -102.55 -25.18 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' HG21 ' A' ' 26' ' ' THR . . . 38.51 -125.67 1.67 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -80.26 -24.62 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 111.113 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.3 p -84.43 27.3 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.436 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -94.16 -171.29 38.32 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.493 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 3.1 m-85 -143.85 109.06 5.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.929 0.395 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -62.26 167.29 4.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.9 t -141.58 163.97 31.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -51.63 -32.42 29.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.75 -23.17 63.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.61 -25.15 26.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.6 m -68.31 167.1 15.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.923 0.392 . . . . 0.0 110.886 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.444 HG23 ' CG2' ' A' ' 35' ' ' VAL . 8.2 m -105.99 141.02 38.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 29' ' ' LEU . 8.0 m-85 -134.25 172.09 13.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.3 p -96.62 168.14 10.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.493 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -51.69 -17.54 3.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.533 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.4 m -87.15 -49.21 7.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.807 0.337 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -104.2 32.59 3.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -74.96 -37.94 61.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -78.72 151.42 76.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.672 0.749 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.483 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 54.0 Cg_endo -69.78 -41.77 3.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.383 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -56.43 -33.28 65.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 m -75.97 -31.33 58.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 14.7 p-80 -124.83 113.79 18.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -45.96 90.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.477 ' N ' ' O ' ' A' ' 58' ' ' HIS . 6.9 t -62.5 124.08 20.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -77.04 -36.43 56.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.3 145.36 22.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -77.06 116.02 17.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -67.51 -176.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -116.86 160.43 20.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -40.15 -36.96 0.97 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.482 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.6 m -38.18 -36.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 111.111 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -172.61 113.75 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.063 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.6 t -92.67 79.91 4.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 59.94 137.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 126.54 13.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.643 2.229 . . . . 0.0 112.343 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 71.8 p -64.3 84.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 p -140.18 160.42 40.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.485 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 p -173.75 147.64 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.822 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -159.7 166.72 29.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.75 93.87 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -121.97 157.84 30.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.5 p -114.95 168.44 9.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.71 62.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -92.31 85.48 5.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.769 0.318 . . . . 0.0 111.087 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.34 105.74 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.93 -79.39 0.43 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.64 -48.59 22.04 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.3 t70 70.14 41.94 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.881 0.372 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.1 m -89.16 82.52 6.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.19 158.67 36.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 108.58 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -159.08 105.29 1.55 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.589 0.709 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.474 ' O ' ' N ' ' A' ' 19' ' ' ASP . 53.9 Cg_endo -69.77 179.04 3.98 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' PRO . 1.2 pt? -35.76 -31.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 17' ' ' PRO . 3.1 p-10 -114.47 123.59 32.07 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.559 0.695 . . . . 0.0 110.843 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 114.82 3.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 1.34 4.52 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt 53.17 41.5 32.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 t -143.37 148.69 36.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -107.53 41.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.46 153.65 51.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 36' ' ' GLY . 7.0 m -96.65 121.03 38.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.2 mtt85 -146.08 173.12 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -63.11 168.1 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.9 tp -105.81 -12.15 15.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -110.46 -39.92 4.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 p -110.12 -9.78 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 53.22 47.59 24.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -100.81 141.44 33.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -54.08 104.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.44 ' CG2' HG22 ' A' ' 26' ' ' THR . 34.1 m -104.5 -27.84 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.455 ' N ' HG22 ' A' ' 26' ' ' THR . . . 40.66 -134.87 2.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 p -74.75 -14.17 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 111.097 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.9 p -95.51 30.21 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.435 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -101.58 177.73 27.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.468 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 2.6 m-85 -126.44 107.02 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -65.59 156.74 31.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.4 t -126.11 168.03 14.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -56.4 -27.24 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.7 p -79.69 1.96 24.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.15 -39.47 3.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.534 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.1 m -51.65 166.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.936 0.398 . . . . 0.0 110.86 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.435 HG23 ' CG2' ' A' ' 35' ' ' VAL . 24.2 m -116.79 138.1 51.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.461 ' N ' ' CD1' ' A' ' 48' ' ' PHE . 2.9 m-85 -127.97 175.47 8.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.4 p -94.5 -175.97 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.468 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -76.34 11.51 12.48 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 65.7 m -117.89 -23.57 7.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.172 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -119.64 -5.28 10.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.434 ' HD2' ' CD2' ' A' ' 40' ' ' PHE . 0.3 OUTLIER -41.68 -37.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -70.1 143.86 91.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.689 0.757 . . . . 0.0 110.922 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 58' ' ' HIS . 54.2 Cg_endo -69.74 -39.9 5.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -56.69 -34.33 67.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 t -74.43 -30.01 61.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.561 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.5 p-80 -128.35 113.8 16.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -47.74 93.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.527 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 3.6 t -58.1 118.7 5.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -69.68 -45.73 67.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -54.28 126.48 23.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -56.68 121.85 10.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.527 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 25.4 m-85 -75.86 171.91 13.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 66' ' ' GLY . 31.3 mmtp -109.55 79.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' LYS . . . 34.33 55.14 0.75 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.6 p -125.39 120.88 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 111.133 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -97.89 172.35 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.5 t -67.89 -49.98 58.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.12 -151.77 18.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -25.7 28.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.667 2.245 . . . . 0.0 112.307 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.8 t -50.27 136.33 20.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 m -158.48 153.56 25.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.476 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -140.05 151.71 45.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -153.32 147.41 25.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.49 -177.21 24.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 m -158.54 147.29 18.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -155.63 140.99 17.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.44 106.16 0.64 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.5 p -103.41 40.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 111.183 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -84.91 135.37 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.22 119.82 0.95 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.465 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -42.62 120.56 2.53 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.535 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.27 -53.65 18.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 t -109.48 84.65 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.59 163.51 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.11 28.42 7.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.57 112.63 0.27 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.526 0.679 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 78.91 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.547 ' CD2' ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -134.98 3.38 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.492 ' CB ' HD13 ' A' ' 18' ' ' LEU . 7.4 p-10 -175.96 149.02 0.98 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.693 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 158.75 55.88 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 79.21 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.64 2.227 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -114.01 -47.68 2.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' THR . 16.8 m -126.61 -56.35 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' SER . 9.0 t -35.52 120.5 0.57 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.121 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.57 159.36 15.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.453 HG21 ' N ' ' A' ' 36' ' ' GLY . 18.7 m -85.43 126.91 34.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -156.1 168.48 27.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -57.41 167.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.574 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 28.0 tp -105.44 -9.5 17.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -111.01 -45.7 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 p -107.94 -7.68 16.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 51.8 t30 53.24 49.44 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -98.09 135.42 39.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -49.31 99.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.5 m -100.84 -25.47 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.453 ' N ' HG21 ' A' ' 26' ' ' THR . . . 41.3 -114.61 0.63 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.519 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 p -92.98 -21.02 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.5 p -84.56 28.49 0.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.404 ' C ' ' CD1' ' A' ' 40' ' ' PHE . . . -94.08 -169.62 37.98 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.451 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.432 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 8.2 m-85 -144.69 107.47 4.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -62.09 151.06 36.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.8 t -130.93 164.97 24.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -52.17 -26.28 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.0 p -79.6 12.44 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.83 29.12 58.26 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.411 ' CB ' HD21 ' A' ' 29' ' ' LEU . 2.6 m -116.28 165.72 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 m -112.79 124.72 53.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.099 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 4.4 m-85 -122.06 179.66 4.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.0 p -99.64 161.13 13.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.432 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -44.44 -21.55 0.28 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.1 m -83.62 -52.93 6.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.1 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -100.62 32.19 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -73.86 -36.62 64.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -75.97 149.45 82.71 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.692 0.758 . . . . 0.0 110.946 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.571 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.6 Cg_endo -69.74 -35.52 12.55 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.718 2.279 . . . . 0.0 112.312 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.5 pm0 -72.08 -26.1 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 m -78.95 -32.74 45.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 4.6 p-80 -113.59 171.84 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -86.21 88.69 7.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.535 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 3.3 t -70.24 96.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -56.91 -46.99 81.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -44.34 138.37 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.28 119.74 14.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 15.9 m-85 -80.7 -54.79 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' GLY . 15.8 mmtt -130.36 81.32 2.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' LYS . . . 33.3 59.04 0.51 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.2 p -152.96 142.15 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 0.0 111.14 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.44 134.28 32.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 70' ' ' GLY . 5.6 m -84.9 92.71 8.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' SER . . . 34.03 68.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.506 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.89 29.44 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.335 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.95 151.69 23.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 t -64.03 -62.51 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.459 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 p -136.44 149.38 48.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 t -162.15 150.71 15.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.35 -161.86 10.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -138.83 139.98 38.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.822 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 m -82.44 177.34 8.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.07 -177.0 40.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.3 p -114.46 160.54 19.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.77 0.319 . . . . 0.0 111.111 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -44.31 -61.69 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.24 157.97 23.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.563 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.39 39.77 1.73 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -40.39 -54.51 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.328 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -81.96 123.11 28.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.37 108.71 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' CB ' HD13 ' A' ' 29' ' ' LEU . . . -103.22 78.71 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.86 143.54 0.8 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.531 0.681 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 178.39 4.58 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.295 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -39.4 142.69 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 20.5 t0 59.01 55.02 5.22 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.606 0.717 . . . . 0.0 110.856 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 19' ' ' ASP . 53.8 Cg_endo -69.73 154.21 68.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.252 . . . . 0.0 112.326 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -165.59 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.728 2.285 . . . . 0.0 112.365 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -84.98 49.39 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.3 p -85.0 91.08 7.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 t -93.32 -19.45 21.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.191 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.36 165.7 10.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.3 m -81.26 115.41 20.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -144.78 159.73 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.3 t -45.51 169.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.554 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 21.9 tp -105.23 -16.55 14.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.3 m -108.38 -40.57 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 p -108.69 -1.46 19.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.9 m120 44.01 41.43 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -92.25 141.59 28.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -50.73 105.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.487 ' HB ' ' CA ' ' A' ' 39' ' ' GLY . 23.2 m -109.76 -14.91 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' VAL . . . 35.12 -113.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.7 p -92.59 -31.19 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 0.0 111.115 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.3 p -60.25 -21.15 61.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.487 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -44.92 167.04 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -127.71 107.96 10.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -57.12 145.16 31.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.2 t -124.26 164.72 18.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -50.76 -26.92 6.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.9 p -81.69 13.76 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.16 25.04 56.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 m -109.77 167.0 10.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.95 0.405 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.6 m -112.19 128.7 56.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.554 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 12.0 m-85 -125.77 176.67 6.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.4 p -100.23 161.58 13.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.01 -21.56 0.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.6 m -82.89 -50.57 8.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -103.77 31.22 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -76.35 -30.65 57.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -85.55 151.56 56.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.72 0.772 . . . . 0.0 110.913 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.434 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 54.5 Cg_endo -69.72 -49.48 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.686 2.257 . . . . 0.0 112.391 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -47.16 -34.32 6.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -77.36 -30.32 53.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.551 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.0 p-80 -127.78 114.99 17.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -49.5 92.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.527 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 5.2 t -60.4 112.49 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -61.57 -52.47 64.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -47.96 136.46 11.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -62.85 129.03 38.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.527 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 20.1 m-85 -80.54 171.37 15.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -50.58 67.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.09 42.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.0 p -118.51 35.91 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.383 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.96 91.17 3.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.4 p -95.51 127.92 41.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -130.9 75.42 0.42 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -26.68 27.2 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.751 2.3 . . . . 0.0 112.323 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.7 p -123.53 153.91 39.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.8 m -59.91 160.56 7.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.514 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.682 HG22 HG23 ' A' ' 35' ' ' VAL . 3.1 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.785 0.326 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -140.2 171.01 14.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.587 ' CB ' ' HG ' ' A' ' 31' ' ' CYS . 8.3 t -60.25 166.61 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.503 HD22 ' CB ' ' A' ' 46' ' ' SER . 64.9 tp -101.13 -10.55 20.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -116.89 -41.75 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.587 ' HG ' ' CB ' ' A' ' 28' ' ' CYS . 15.4 p -106.18 2.7 27.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.1 m120 40.18 38.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.426 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 78.0 tttt -88.99 144.15 26.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -59.37 101.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.682 HG23 HG22 ' A' ' 26' ' ' THR . 30.2 m -103.1 -19.31 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.632 ' O ' HG21 ' A' ' 26' ' ' THR . . . 42.08 -115.76 0.94 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.535 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.53 HG13 ' N ' ' A' ' 38' ' ' THR . 12.5 p -87.71 -45.99 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.53 ' N ' HG13 ' A' ' 37' ' ' VAL . 68.0 p -47.15 -28.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.438 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -37.19 156.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.471 ' CE1' ' HA2' ' A' ' 50' ' ' GLY . 36.0 m-85 -113.93 102.92 10.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.946 0.403 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -55.82 148.13 17.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.1 t -123.04 167.05 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -57.11 -25.74 59.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.2 p -80.48 -11.35 59.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.49 -38.04 3.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.503 ' CB ' HD22 ' A' ' 29' ' ' LEU . 18.4 m -50.92 172.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.93 0.395 . . . . 0.0 110.857 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 m -124.16 128.86 49.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.472 ' CE2' ' CD2' ' A' ' 58' ' ' HIS . 2.9 m-85 -120.58 173.79 6.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.8 p -94.42 -179.86 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.471 ' HA2' ' CE1' ' A' ' 40' ' ' PHE . . . -67.12 -1.26 12.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.484 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.0 m -104.84 -34.36 8.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 0.0 111.133 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -116.32 25.89 10.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.435 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 11.7 ptt85 -68.47 -35.22 77.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.435 ' CD1' ' HG2' ' A' ' 53' ' ' ARG . 1.4 m-85 -74.85 150.93 86.44 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.727 0.775 . . . . 0.0 110.902 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.22 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -50.6 -30.78 14.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 m -78.31 -29.72 47.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.542 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 11.8 p-80 -129.24 115.71 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -47.73 93.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.3 t -60.11 114.85 3.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -64.35 -47.38 79.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -57.8 118.03 4.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.637 HG22 HG23 ' A' ' 35' ' ' VAL . 20.5 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.805 0.336 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.421 ' NH1' ' HD3' ' A' ' 34' ' ' LYS . 79.2 mtt-85 -138.06 169.62 17.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -62.49 168.4 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 27.7 tp -105.04 -10.1 17.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -109.87 -46.86 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.0 p -105.66 -10.53 16.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 57.04 47.14 18.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.536 ' O ' HG13 ' A' ' 35' ' ' VAL . 8.7 ttpt -98.59 137.56 37.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.421 ' HD3' ' NH1' ' A' ' 27' ' ' ARG . 15.1 tptp -54.32 96.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.637 HG23 HG22 ' A' ' 26' ' ' THR . 35.4 m -91.69 -30.55 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.71 -130.14 6.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 p -74.35 -27.93 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.377 . . . . 0.0 111.119 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.9 p -83.93 29.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.177 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.47 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -97.16 178.11 32.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.506 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.494 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 3.9 m-85 -133.59 106.74 7.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -63.88 165.96 7.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.3 t -134.33 165.38 25.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -52.9 -32.16 43.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.1 p -72.78 -20.23 61.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.68 -32.57 7.0 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.53 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.439 ' CB ' HD22 ' A' ' 29' ' ' LEU . 13.9 m -57.0 166.04 1.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.928 0.394 . . . . 0.0 110.893 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.447 HG22 HG21 ' A' ' 35' ' ' VAL . 5.7 m -115.79 129.98 56.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 4.4 m-85 -123.35 175.63 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.8 p -98.98 169.21 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.494 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -51.73 -19.15 4.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.1 m -85.91 -50.26 7.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -103.58 33.47 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 10.0 ptt180 -75.95 -34.38 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.646 ' O ' ' HD2' ' A' ' 58' ' ' HIS . 3.2 m-85 -75.94 152.96 84.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.701 0.763 . . . . 0.0 110.915 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -37.04 9.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.2 -35.08 76.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -74.85 -30.93 61.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.646 ' HD2' ' O ' ' A' ' 54' ' ' TYR . 8.0 p80 -125.14 114.85 19.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -45.4 96.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.6 t -72.93 104.92 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -41.55 98.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -46.83 132.24 11.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.6 HG22 ' CG2' ' A' ' 35' ' ' VAL . 24.0 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.831 0.348 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -152.15 163.21 39.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -51.62 168.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.475 HD22 ' CB ' ' A' ' 46' ' ' SER . 39.8 tp -104.61 -11.35 16.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -111.99 -42.85 3.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -109.98 0.39 18.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.0 m120 42.89 47.75 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.783 ' O ' HG13 ' A' ' 35' ' ' VAL . 23.8 tttp -98.57 131.61 44.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -42.75 105.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 33' ' ' LYS . 34.0 m -109.13 -20.87 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.95 -129.3 4.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.59 -36.68 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.938 0.399 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.6 p -57.35 -27.02 61.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.183 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.489 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -42.13 161.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.453 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 5.2 m-85 -114.21 116.92 29.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.95 0.405 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -70.04 150.11 46.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.0 t -120.7 163.85 17.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -53.21 -28.13 25.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.8 p -75.34 -21.08 58.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.7 -32.43 7.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.475 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.6 m -60.11 165.43 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.963 0.411 . . . . 0.0 110.831 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.488 ' CG2' HG21 ' A' ' 35' ' ' VAL . 17.7 m -108.1 148.73 29.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 47' ' ' THR . 8.8 m-85 -142.06 174.3 10.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.3 p -100.51 163.42 12.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.453 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -46.2 -22.84 1.01 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.435 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.8 m -82.39 -47.92 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.342 . . . . 0.0 111.137 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -106.58 32.68 4.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -75.63 -37.4 59.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -75.08 152.37 86.33 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 110.967 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.464 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.9 Cg_endo -69.75 -40.15 5.68 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.706 2.271 . . . . 0.0 112.328 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -60.78 -30.22 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.0 p -78.28 -31.18 48.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.7 p-80 -124.0 116.5 22.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -47.26 93.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' HIS . 4.7 t -62.45 126.32 26.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -76.88 -45.39 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -48.82 135.97 14.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 t70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.563 HG22 ' CG2' ' A' ' 35' ' ' VAL . 8.4 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.759 0.314 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -145.65 173.38 12.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.496 ' CB ' ' HG ' ' A' ' 31' ' ' CYS . 9.9 t -66.4 167.74 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.606 HD22 ' CB ' ' A' ' 46' ' ' SER . 40.4 tp -102.79 -10.84 18.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -114.3 -41.58 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.496 ' HG ' ' CB ' ' A' ' 28' ' ' CYS . 23.4 p -105.93 -7.97 17.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 m120 53.24 36.84 23.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.483 ' O ' HG13 ' A' ' 35' ' ' VAL . 22.0 tttp -92.42 139.16 30.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -56.31 105.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.563 ' CG2' HG22 ' A' ' 26' ' ' THR . 34.7 m -101.29 -25.85 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 40.94 -127.81 3.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -77.98 -24.98 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.8 p -85.26 28.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.468 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -96.72 177.61 33.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.538 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 2.9 m-85 -132.15 106.87 8.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 110.846 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -62.26 167.17 4.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.6 t -137.45 163.06 32.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -52.17 -31.49 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.9 p -70.05 -23.25 63.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.0 -27.93 13.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.606 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.3 m -65.63 167.46 9.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.981 0.42 . . . . 0.0 110.862 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.496 HG22 HG21 ' A' ' 35' ' ' VAL . 6.6 m -110.58 141.63 43.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.51 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 6.0 m-85 -134.18 173.82 11.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.8 p -97.41 171.64 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.538 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -55.24 -16.53 9.37 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.7 m -87.42 -45.49 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 111.141 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -109.51 31.59 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -73.55 -39.91 64.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -75.85 152.12 84.66 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.74 . . . . 0.0 110.92 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.447 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.4 Cg_endo -69.81 -49.14 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -48.89 -33.2 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -76.72 -31.12 56.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 11.0 p-80 -126.19 115.2 19.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -46.69 94.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 58' ' ' HIS . 4.5 t -64.07 117.52 7.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -68.51 -44.0 75.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -52.38 132.54 34.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.589 HG22 ' CG2' ' A' ' 35' ' ' VAL . 41.3 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.3 mtt85 -148.53 170.54 17.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -61.14 169.11 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 14.3 tp -106.19 -11.73 15.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 m -108.63 -46.01 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.1 p -106.67 -9.52 16.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.0 t30 55.71 48.5 18.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.644 ' O ' HG13 ' A' ' 35' ' ' VAL . 23.9 tttp -100.72 133.98 44.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -48.37 102.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 33' ' ' LYS . 34.3 m -100.91 -28.89 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.85 -132.47 6.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.9 p -76.3 -24.96 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.5 p -87.79 33.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.47 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -97.1 -169.24 33.38 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 5.4 m-85 -139.79 110.61 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.882 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -70.25 160.58 31.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.7 t -131.1 165.01 24.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -52.75 -31.71 39.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 p -72.24 -20.8 61.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.62 -32.29 7.26 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.455 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.5 m -58.71 164.23 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.932 0.396 . . . . 0.0 110.894 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.512 HG22 HG21 ' A' ' 35' ' ' VAL . 19.9 m -111.38 140.18 46.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 3.0 m-85 -132.77 178.32 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.8 p -95.86 -174.65 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.443 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -79.82 24.31 3.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.6 m -129.03 -29.84 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.82 0.343 . . . . 0.0 111.177 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 53' ' ' ARG . 97.0 m-70 -114.25 -8.12 12.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.823 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 52' ' ' HIS . 3.8 ptm180 -36.67 -34.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 52' ' ' HIS . 8.2 m-85 -72.77 148.88 90.1 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.734 0.778 . . . . 0.0 110.91 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.429 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.78 -38.72 7.37 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.33 -34.66 74.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 t -74.02 -32.05 63.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.531 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 15.9 p-80 -124.8 114.75 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -47.55 94.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.2 t -63.52 133.24 53.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -86.46 -39.69 16.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -59.16 113.9 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.586 HG22 ' CG2' ' A' ' 35' ' ' VAL . 2.9 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.819 0.342 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -142.15 169.56 17.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.443 ' CB ' ' HG ' ' A' ' 31' ' ' CYS . 8.6 t -58.21 168.5 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 52.5 tp -101.98 -11.9 18.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 m -116.69 -39.13 3.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.443 ' HG ' ' CB ' ' A' ' 28' ' ' CYS . 16.7 p -108.71 0.29 20.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 41.66 44.05 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.61 ' O ' HG13 ' A' ' 35' ' ' VAL . 41.5 tttm -95.57 136.99 35.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -52.33 98.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 33' ' ' LYS . 32.6 m -95.51 -27.55 4.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' VAL . . . 37.05 -135.52 0.74 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.34 -11.25 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.931 0.396 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -99.31 30.85 3.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.477 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -99.42 -175.23 31.33 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.513 ' N ' ' CD1' ' A' ' 40' ' ' PHE . 1.4 m-85 -134.49 105.77 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.399 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -62.75 154.73 28.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.1 t -132.33 166.81 21.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -55.81 -30.66 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -74.53 -0.95 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.63 -35.54 3.04 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.566 ' CB ' HD22 ' A' ' 29' ' ' LEU . 4.7 m -56.08 165.45 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.545 HG22 HG21 ' A' ' 35' ' ' VAL . 22.5 m -115.4 133.63 55.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 2.2 m-85 -126.28 173.66 9.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.1 p -92.62 -174.33 3.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.411 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -79.63 19.75 5.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 83.7 m -124.62 -25.23 4.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.114 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -120.52 -1.54 10.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -42.85 -36.47 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.45 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 5.2 m-85 -68.21 145.72 97.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.692 0.758 . . . . 0.0 110.909 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.585 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.81 -31.54 20.1 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.626 2.218 . . . . 0.0 112.36 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -76.15 -23.47 54.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -83.79 -27.69 28.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.585 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 6.8 p-80 -119.58 167.16 12.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -83.6 87.16 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.6 t -73.98 84.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -52.27 -50.59 61.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -39.15 126.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.696 HG22 HG23 ' A' ' 35' ' ' VAL . 13.9 m . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.792 0.33 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -140.92 168.12 20.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -53.96 168.06 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 46' ' ' SER . 51.3 tp -103.92 -10.63 18.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -114.32 -39.33 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.0 p -112.19 1.52 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 m120 41.07 51.64 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.645 ' O ' HG13 ' A' ' 35' ' ' VAL . 24.9 tttm -101.87 139.09 37.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -50.29 101.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.696 HG23 HG22 ' A' ' 26' ' ' THR . 26.8 m -104.45 -20.46 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.468 ' O ' HG21 ' A' ' 26' ' ' THR . . . 40.42 -123.24 2.21 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.8 p -85.79 -33.07 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.377 . . . . 0.0 111.12 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -61.19 -18.18 56.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.469 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -47.28 166.02 0.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.4 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 15.8 m-85 -120.45 99.84 6.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.937 0.398 . . . . 0.0 110.919 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 3.4 tppp? -49.39 151.45 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 13.5 t -129.75 168.07 17.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -56.23 -29.42 60.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.9 p -77.45 0.8 21.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.52 -20.06 6.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.474 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.4 m -68.44 171.99 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.93 0.395 . . . . 0.0 110.897 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.428 HG22 HG21 ' A' ' 35' ' ' VAL . 10.4 m -118.07 128.46 54.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 48' ' ' PHE . 3.4 m-85 -121.51 175.67 6.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.4 p -98.22 171.9 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.4 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -54.92 -14.14 5.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.7 m -91.09 -50.08 6.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.849 0.357 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -101.85 30.4 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -70.33 -38.23 74.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.45 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 1.7 m-85 -71.61 148.58 92.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.672 0.749 . . . . 0.0 110.919 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.578 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.77 -40.62 5.09 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.341 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -67.98 -21.25 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 m -78.5 -32.82 48.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 17.3 p-80 -118.37 177.69 4.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -87.96 86.93 7.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.1 t -70.46 91.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -52.53 -51.49 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -44.69 146.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.5 t70 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.57 HG22 HG23 ' A' ' 35' ' ' VAL . 4.3 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.822 0.344 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -134.14 171.2 14.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -60.8 170.62 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.5 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 28.3 tp -101.38 -15.38 17.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 m -112.51 -43.44 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 p -105.45 2.24 28.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 m120 39.18 44.89 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.567 ' O ' HG13 ' A' ' 35' ' ' VAL . 14.7 tttp -94.51 135.33 36.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 tptm -52.13 96.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.57 HG23 HG22 ' A' ' 26' ' ' THR . 28.4 m -95.71 -25.34 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' VAL . . . 36.82 -128.31 1.09 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -72.21 -26.39 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 111.174 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.3 p -83.52 27.06 0.62 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.438 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -98.26 168.39 23.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 3.3 m-85 -125.24 104.94 8.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.13 164.04 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.7 t -133.22 164.65 26.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -52.97 -30.7 36.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.0 p -74.43 -20.32 60.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.3 -32.35 7.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 m -56.79 166.8 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.942 0.401 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -114.71 132.86 56.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 4.6 m-85 -125.86 172.84 9.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.3 p -98.06 170.86 8.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.449 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -52.72 -15.96 3.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.4 m -88.4 -53.46 4.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 111.15 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -100.66 34.92 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.417 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 9.6 ptt180 -76.61 -33.94 58.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.417 ' CE1' ' HG2' ' A' ' 53' ' ' ARG . 2.8 m-85 -77.08 151.71 81.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.696 0.76 . . . . 0.0 110.931 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.502 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.82 -42.88 2.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.246 . . . . 0.0 112.306 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.11 -32.51 66.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -76.35 -30.36 57.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.6 p-80 -125.24 114.12 18.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -45.62 94.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' HIS . 4.4 t -63.54 115.8 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -69.13 -45.11 70.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -52.06 126.41 18.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.767 HG22 HG23 ' A' ' 35' ' ' VAL . 3.0 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.826 0.346 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.731 ' HA ' HG22 ' A' ' 35' ' ' VAL . 70.2 mtt180 -156.15 168.39 27.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -55.62 167.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.495 HD22 ' CB ' ' A' ' 46' ' ' SER . 17.8 tp -106.39 -10.8 16.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -108.11 -46.32 3.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.5 p -105.76 -11.41 16.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 58.24 44.49 18.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -96.76 141.33 30.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -51.08 110.78 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.767 HG23 HG22 ' A' ' 26' ' ' THR . 8.8 m -117.21 -13.77 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 35' ' ' VAL . . . 31.71 -102.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.461 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 38' ' ' THR . 7.5 p -93.88 -45.07 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 111.1 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.485 ' N ' HG13 ' A' ' 37' ' ' VAL . 30.8 p -48.05 -22.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.495 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -43.01 158.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -124.71 108.14 11.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -57.6 151.54 16.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.6 t -130.32 165.28 22.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 -53.07 -26.4 15.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 7.6 p -81.06 10.15 5.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.97 31.05 74.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.495 ' CB ' HD22 ' A' ' 29' ' ' LEU . 5.0 m -116.77 166.57 11.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.865 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m -112.85 126.9 55.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.55 ' CE2' ' CD2' ' A' ' 58' ' ' HIS . 11.9 m-85 -123.63 178.3 5.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.4 p -101.01 161.85 13.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.74 -19.7 0.54 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.2 m -85.17 -47.52 10.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 111.148 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -106.72 31.63 5.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -73.67 -36.3 65.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.439 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 3.3 m-85 -72.63 146.87 88.95 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.676 0.75 . . . . 0.0 110.91 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -38.83 7.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.4 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 pm0 -68.2 -30.79 69.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.3 m -74.62 -33.19 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.55 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 9.9 p-80 -120.45 120.57 36.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 59' ' ' GLU . 4.7 mp0 -43.12 97.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.1 t -76.95 95.96 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -47.8 -41.07 22.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.4 ' CE2' ' O ' ' A' ' 63' ' ' ASP . 31.6 t80 -50.38 142.79 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.4 ' O ' ' CE2' ' A' ' 62' ' ' PHE . 6.7 m-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.439 HG22 ' CG2' ' A' ' 35' ' ' VAL . 8.4 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.789 0.328 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HG3' ' C ' ' A' ' 26' ' ' THR . 74.3 mtt-85 -150.1 163.26 38.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.8 t -51.03 168.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.508 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 23.3 tp -105.15 -12.76 15.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.4 m -107.09 -47.08 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.7 -12.58 16.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 58.46 47.32 13.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.685 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -100.48 141.65 33.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -51.85 101.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 33' ' ' LYS . 31.8 m -105.06 -21.78 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.32 -125.42 3.24 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 38' ' ' THR . 8.0 p -79.15 -45.55 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 111.104 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.496 ' N ' HG13 ' A' ' 37' ' ' VAL . 72.4 p -49.11 -32.43 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.486 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -38.32 156.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.403 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 8.5 m-85 -109.77 122.06 46.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.863 0.363 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tttm -72.55 150.26 43.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.8 t -121.99 164.65 17.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -53.06 -28.91 27.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 p -75.58 -20.43 58.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.17 -32.2 7.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.48 ' CB ' HD22 ' A' ' 29' ' ' LEU . 13.4 m -58.02 166.62 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.41 . . . . 0.0 110.845 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.468 HG22 HG21 ' A' ' 35' ' ' VAL . 7.5 m -110.45 139.76 45.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 14.9 m-85 -132.93 177.49 7.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.8 p -102.88 167.59 9.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -51.01 -19.02 3.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 m -86.2 -48.6 8.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.796 0.331 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -106.39 34.98 3.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -76.15 -38.65 56.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -72.66 153.09 91.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.719 0.771 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.459 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.3 Cg_endo -69.79 -36.2 11.15 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.685 2.256 . . . . 0.0 112.303 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -63.12 -36.43 83.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -70.67 -31.47 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.533 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 15.5 p-80 -124.96 114.14 18.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -45.86 92.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 58' ' ' HIS . 5.1 t -63.49 129.23 39.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -80.76 -42.52 21.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -49.36 141.93 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.508 HG22 ' CG2' ' A' ' 35' ' ' VAL . 5.7 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.741 0.305 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -149.36 168.19 24.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.479 ' CB ' ' HG ' ' A' ' 31' ' ' CYS . 8.9 t -58.07 167.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.408 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 21.5 tp -103.08 -11.82 17.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -112.74 -43.6 3.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.479 ' HG ' ' CB ' ' A' ' 28' ' ' CYS . 18.2 p -104.22 -6.06 21.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.5 t30 50.22 40.45 22.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.532 ' O ' HG13 ' A' ' 35' ' ' VAL . 18.0 ttmm -94.34 140.33 29.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.65 106.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.571 HG21 HG22 ' A' ' 47' ' ' THR . 33.8 m -106.21 -24.43 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.92 -117.2 0.81 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 p -86.44 -23.78 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.3 p -84.16 31.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -99.87 -176.76 30.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -138.52 112.49 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.923 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -65.74 158.35 27.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.1 t -136.37 164.87 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -51.33 -27.03 8.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 p -81.09 15.15 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.34 27.96 48.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -111.7 167.22 10.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 110.883 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.571 HG22 HG21 ' A' ' 35' ' ' VAL . 5.5 m -115.45 123.21 48.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.512 ' N ' ' CD1' ' A' ' 48' ' ' PHE . 1.6 m-85 -119.82 176.25 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.3 p -92.88 -176.3 4.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.19 19.95 6.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.0 m -126.15 -24.23 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 111.157 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -118.45 -6.93 10.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -39.57 -36.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -72.05 144.11 87.16 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.715 0.769 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 54.2 Cg_endo -69.75 -42.43 3.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.246 . . . . 0.0 112.364 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -54.14 -29.83 46.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.8 t -84.17 -27.63 27.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 6.7 p-80 -127.9 116.95 20.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.6 90.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' HIS . 8.2 t -59.53 110.22 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -61.23 -37.81 84.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -65.69 121.25 14.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.683 HG22 HG23 ' A' ' 35' ' ' VAL . 16.1 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.74 0.305 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -143.92 167.63 21.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.6 t -58.72 167.8 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.611 HD22 ' CB ' ' A' ' 46' ' ' SER . 46.1 tp -101.65 -10.31 20.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -115.68 -44.37 2.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.2 p -103.77 -2.15 26.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.6 m120 46.04 37.23 3.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 35' ' ' VAL . 20.5 ttmt -88.11 140.68 29.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -57.67 98.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.683 HG23 HG22 ' A' ' 26' ' ' THR . 27.6 m -95.25 -29.38 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 42.9 -131.3 5.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 p -73.89 -26.73 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.93 0.395 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.6 p -83.18 26.37 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.439 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -92.76 -174.41 41.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.479 ' N ' ' CD1' ' A' ' 40' ' ' PHE . 1.8 m-85 -143.31 109.01 5.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -64.24 164.2 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.5 t -134.26 164.64 26.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -51.66 -33.1 32.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -71.04 -22.14 62.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.63 -30.19 9.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.611 ' CB ' HD22 ' A' ' 29' ' ' LEU . 6.3 m -62.48 164.78 6.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.889 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.6 m -108.56 140.43 41.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.164 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 8.9 m-85 -132.98 173.81 11.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.9 p -99.86 166.73 10.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.83 -24.21 4.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.2 m -80.86 -48.25 12.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 111.169 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -106.34 31.72 4.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.434 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 9.7 ptt180 -75.45 -32.92 60.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.434 ' CD1' ' HG2' ' A' ' 53' ' ' ARG . 2.6 m-85 -78.25 150.88 77.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.679 0.752 . . . . 0.0 110.886 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.464 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.74 -41.45 4.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 57' ' ' SER . 4.4 pt-20 -59.03 -32.42 69.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 2.5 m -75.61 -31.32 59.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 13.4 p-80 -124.59 114.88 19.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 59' ' ' GLU . 24.6 mp0 -45.22 96.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.33 120.83 13.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -73.32 -45.82 53.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -57.13 132.2 52.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.0 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.604 HG22 ' CG2' ' A' ' 35' ' ' VAL . 11.1 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.794 0.331 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.4 mtt85 -146.49 173.08 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.9 t -65.92 167.76 9.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.461 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 46.2 tp -103.91 -10.01 18.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 m -112.33 -45.27 3.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.797 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.4 p -105.32 -9.17 17.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 51.5 t30 53.49 45.21 28.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.531 ' O ' HG13 ' A' ' 35' ' ' VAL . 25.9 tttp -96.7 139.34 32.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -55.6 97.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.604 ' CG2' HG22 ' A' ' 26' ' ' THR . 34.6 m -94.42 -29.45 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 42.05 -133.65 4.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.8 p -72.15 -24.73 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 111.151 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -87.0 29.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.491 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -98.9 178.24 30.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.486 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 6.6 m-85 -130.54 102.96 6.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 110.836 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.31 165.13 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.9 t -136.01 166.13 24.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -54.2 -30.84 51.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 p -79.14 7.85 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.1 -38.5 2.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.457 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.9 m -51.57 166.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 110.864 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.571 HG22 HG21 ' A' ' 35' ' ' VAL . 27.2 m -116.57 139.64 50.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 6.7 m-85 -130.21 172.49 11.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.4 p -97.54 170.95 8.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.486 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -53.26 -19.63 8.52 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.6 m -85.64 -48.85 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -104.45 32.6 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.2 ptt85 -73.87 -36.37 64.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.567 ' O ' ' HD2' ' A' ' 58' ' ' HIS . 1.4 m-85 -75.79 152.29 84.83 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.686 0.755 . . . . 0.0 110.895 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 58' ' ' HIS . 53.3 Cg_endo -69.73 -43.33 2.75 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -54.8 -34.89 63.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 t -73.75 -31.45 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.567 ' HD2' ' O ' ' A' ' 54' ' ' TYR . 8.2 p80 -126.13 113.15 16.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -45.69 96.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.9 t -63.92 125.7 25.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -79.47 -46.12 18.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.429 ' CE2' ' O ' ' A' ' 63' ' ' ASP . 33.0 t80 -52.25 125.13 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.429 ' O ' ' CE2' ' A' ' 62' ' ' PHE . 11.6 t0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.748 HG22 HG23 ' A' ' 35' ' ' VAL . 16.2 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.741 0.305 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -144.26 172.56 12.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -61.41 168.76 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.464 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 12.2 tp -106.23 -13.0 15.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -108.32 -44.59 4.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.7 p -107.3 -7.29 16.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.81 46.18 26.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.659 ' O ' HG13 ' A' ' 35' ' ' VAL . 44.2 tttt -97.07 137.25 36.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -50.17 105.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.748 HG23 HG22 ' A' ' 26' ' ' THR . 34.7 m -106.83 -19.6 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.573 ' O ' HG21 ' A' ' 26' ' ' THR . . . 41.2 -118.85 1.4 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.2 p -95.28 -21.23 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.941 0.4 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.7 p -84.72 28.57 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.437 ' C ' ' CD1' ' A' ' 40' ' ' PHE . . . -86.86 -157.94 31.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 27.7 m-85 -148.77 106.47 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER -65.7 155.39 36.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 48.8 t -134.92 165.83 24.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -51.03 -34.68 30.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.6 p -68.68 -22.35 64.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.83 -26.32 24.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -63.22 165.52 7.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.412 . . . . 0.0 110.839 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.513 HG22 HG21 ' A' ' 35' ' ' VAL . 13.3 m -109.93 134.52 52.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 5.5 m-85 -129.4 174.65 9.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.0 p -94.66 -177.98 4.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.85 3.55 9.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.426 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.5 m -109.66 -37.57 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 111.159 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -114.17 32.38 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.432 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 7.7 ptt85 -76.24 -35.8 58.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.655 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 3.5 m-85 -71.41 147.95 93.07 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.663 0.744 . . . . 0.0 110.915 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.77 -33.71 16.0 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.738 2.292 . . . . 0.0 112.332 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -74.21 -26.04 60.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 m -78.31 -31.34 48.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.655 ' CD2' ' O ' ' A' ' 54' ' ' TYR . 16.2 p80 -116.79 171.37 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -85.39 88.2 7.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.0 t -71.09 92.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' PHE . 82.7 mm-40 -54.96 -50.87 67.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' GLN . 5.9 t80 -35.8 126.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.529 HG22 ' CG2' ' A' ' 35' ' ' VAL . 5.7 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.781 0.324 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -152.2 168.37 25.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -55.91 168.96 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.498 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 21.2 tp -106.06 -13.02 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -107.87 -45.17 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.0 p -106.17 -9.74 16.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 t30 54.76 46.9 23.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.7 ' O ' HG13 ' A' ' 35' ' ' VAL . 14.0 tttp -99.42 140.02 34.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -50.08 107.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 33' ' ' LYS . 33.1 m -111.17 -26.11 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.65 -110.83 0.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 38' ' ' THR . 7.2 p -88.14 -44.49 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.476 ' N ' HG13 ' A' ' 37' ' ' VAL . 59.5 p -50.06 -24.86 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.426 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -40.46 159.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.486 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -121.83 87.81 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.915 0.388 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -43.6 154.93 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.9 t -129.18 166.2 19.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -51.3 -34.12 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.7 p -69.97 -22.01 63.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.39 -29.18 11.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.533 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.454 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.5 m -61.82 165.12 5.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.966 0.412 . . . . 0.0 110.832 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.6 m -112.17 139.21 47.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.498 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 9.8 m-85 -132.43 177.18 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.7 p -100.39 172.43 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -55.4 -12.25 4.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 m -93.62 -49.76 5.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 111.114 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -103.01 35.26 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -75.85 -37.26 59.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.515 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 3.0 m-85 -70.14 151.9 95.86 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.688 0.756 . . . . 0.0 110.874 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.442 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.79 -40.4 5.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -67.7 -23.77 65.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.7 p -77.58 -34.3 53.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.515 ' CD2' ' O ' ' A' ' 54' ' ' TYR . 15.4 p80 -114.0 175.81 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -87.71 85.58 7.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.8 96.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -59.03 -49.95 75.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -47.95 132.04 15.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 t0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.681 HG22 HG23 ' A' ' 35' ' ' VAL . 5.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.816 0.341 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.539 ' HA ' HG22 ' A' ' 35' ' ' VAL . 64.3 mtt-85 -146.93 169.08 19.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.401 ' CB ' ' HG ' ' A' ' 31' ' ' CYS . 9.0 t -55.8 168.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.525 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 26.7 tp -103.11 -13.86 16.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -110.7 -44.64 3.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.401 ' HG ' ' CB ' ' A' ' 28' ' ' CYS . 17.6 p -103.08 -5.1 23.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.3 t30 47.57 44.31 16.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' O ' HG13 ' A' ' 35' ' ' VAL . 16.2 ttmm -97.69 144.05 27.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HD3' ' CZ ' ' A' ' 27' ' ' ARG . 10.4 tptp -54.34 106.21 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.681 HG23 HG22 ' A' ' 26' ' ' THR . 16.3 m -110.34 -20.85 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.61 -116.47 0.66 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 38' ' ' THR . 7.3 p -84.77 -45.09 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.833 0.349 . . . . 0.0 111.085 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.482 ' N ' HG13 ' A' ' 37' ' ' VAL . 69.9 p -48.8 -28.28 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.496 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -39.08 159.78 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.433 ' CB ' ' HB2' ' A' ' 53' ' ' ARG . 16.6 m-85 -116.78 113.94 23.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -65.36 147.46 53.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.8 t -122.31 162.86 20.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.0 mtt-85 -53.75 -28.18 32.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.9 p -75.52 -20.11 58.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.18 -33.52 6.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.515 ' CB ' HD22 ' A' ' 29' ' ' LEU . 4.4 m -59.88 163.99 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.407 . . . . 0.0 110.875 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.408 HG22 HG21 ' A' ' 35' ' ' VAL . 33.5 m -108.54 145.98 33.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 15.3 m-85 -138.2 178.19 7.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' ARG . 20.9 p -103.57 166.37 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.432 ' HA2' ' CE1' ' A' ' 40' ' ' PHE . . . -47.17 -26.73 3.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.3 m -78.82 -49.9 12.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.127 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -105.38 32.63 4.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . 18.2 ptt85 -74.69 -36.58 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -73.75 149.56 88.15 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.692 0.758 . . . . 0.0 110.95 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.413 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.6 Cg_endo -69.69 -35.44 12.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.325 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.43 -32.32 71.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -74.56 -32.02 62.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 6.4 p-80 -119.78 122.1 40.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -46.36 96.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.5 t -75.51 115.39 15.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -64.83 -42.94 94.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.478 ' CE2' ' O ' ' A' ' 63' ' ' ASP . 54.7 t80 -51.46 136.65 25.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.478 ' O ' ' CE2' ' A' ' 62' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.553 HG22 ' CG2' ' A' ' 35' ' ' VAL . 20.2 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.812 0.339 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -149.76 169.64 20.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.8 t -60.21 168.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.703 HD22 ' CB ' ' A' ' 46' ' ' SER . 32.0 tp -104.67 -11.27 16.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.3 m -111.98 -42.11 3.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.3 p -107.93 -8.25 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 52.5 47.57 24.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.643 ' O ' HG13 ' A' ' 35' ' ' VAL . 66.7 tttt -101.35 135.23 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -49.69 103.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.643 HG13 ' O ' ' A' ' 33' ' ' LYS . 34.6 m -102.55 -25.18 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.51 -125.67 1.67 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -80.26 -24.62 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 111.113 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.3 p -84.43 27.3 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.445 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -94.16 -171.29 38.32 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.493 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 3.1 m-85 -143.85 109.06 5.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.929 0.395 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -62.26 167.29 4.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.9 t -141.58 163.97 31.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -51.63 -32.42 29.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.75 -23.17 63.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.61 -25.15 26.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.703 ' CB ' HD22 ' A' ' 29' ' ' LEU . 10.6 m -68.31 167.1 15.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.923 0.392 . . . . 0.0 110.886 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.574 HG22 HG21 ' A' ' 35' ' ' VAL . 8.2 m -105.99 141.02 38.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 48' ' ' PHE . 8.0 m-85 -134.25 172.09 13.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.3 p -96.62 168.14 10.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.493 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -51.69 -17.54 3.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.533 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.4 m -87.15 -49.21 7.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.807 0.337 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -104.2 32.59 3.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -74.96 -37.94 61.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -78.72 151.42 76.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.672 0.749 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 54.0 Cg_endo -69.78 -41.77 3.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.383 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -56.43 -33.28 65.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 m -75.97 -31.33 58.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 14.7 p-80 -124.83 113.79 18.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -45.96 90.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.477 ' N ' ' O ' ' A' ' 58' ' ' HIS . 6.9 t -62.5 124.08 20.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -77.04 -36.43 56.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.3 145.36 22.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.4 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.623 HG22 ' CG2' ' A' ' 35' ' ' VAL . 7.0 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.801 0.334 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.2 mtt85 -146.08 173.12 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -63.11 168.1 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.489 HD22 ' CB ' ' A' ' 46' ' ' SER . 15.9 tp -105.81 -12.15 15.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -110.46 -39.92 4.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 p -110.12 -9.78 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 53.22 47.59 24.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.573 ' O ' HG13 ' A' ' 35' ' ' VAL . 77.0 tttt -100.81 141.44 33.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -54.08 104.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.623 ' CG2' HG22 ' A' ' 26' ' ' THR . 34.1 m -104.5 -27.84 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 40.66 -134.87 2.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 p -74.75 -14.17 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 111.097 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.9 p -95.51 30.21 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.445 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -101.58 177.73 27.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.468 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 2.6 m-85 -126.44 107.02 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -65.59 156.74 31.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.4 t -126.11 168.03 14.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -56.4 -27.24 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.7 p -79.69 1.96 24.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.15 -39.47 3.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.534 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.489 ' CB ' HD22 ' A' ' 29' ' ' LEU . 7.1 m -51.65 166.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.936 0.398 . . . . 0.0 110.86 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.434 HG22 HG21 ' A' ' 35' ' ' VAL . 24.2 m -116.79 138.1 51.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.461 ' N ' ' CD1' ' A' ' 48' ' ' PHE . 2.9 m-85 -127.97 175.47 8.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.4 p -94.5 -175.97 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.468 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -76.34 11.51 12.48 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 65.7 m -117.89 -23.57 7.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.172 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -119.64 -5.28 10.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HD2' ' CD2' ' A' ' 40' ' ' PHE . 0.3 OUTLIER -41.68 -37.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -70.1 143.86 91.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.689 0.757 . . . . 0.0 110.922 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 58' ' ' HIS . 54.2 Cg_endo -69.74 -39.9 5.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -56.69 -34.33 67.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 t -74.43 -30.01 61.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.561 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.5 p-80 -128.35 113.8 16.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -47.74 93.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.6 t -58.1 118.7 5.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -69.68 -45.73 67.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -54.28 126.48 23.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t0 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.57 HG22 ' CG2' ' A' ' 35' ' ' VAL . 18.7 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.783 0.325 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -156.1 168.48 27.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.4 ' HB3' ' N ' ' A' ' 32' ' ' ASN . 8.0 t -57.41 167.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.585 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 28.0 tp -105.44 -9.5 17.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -111.01 -45.7 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 p -107.94 -7.68 16.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.4 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 51.8 t30 53.24 49.44 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.685 ' O ' HG13 ' A' ' 35' ' ' VAL . 10.5 ttpp -98.09 135.42 39.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -49.31 99.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 33' ' ' LYS . 34.5 m -100.84 -25.47 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.3 -114.61 0.63 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.519 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 p -92.98 -21.02 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.5 p -84.56 28.49 0.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.404 ' C ' ' CD1' ' A' ' 40' ' ' PHE . . . -94.08 -169.62 37.98 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.451 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.432 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 8.2 m-85 -144.69 107.47 4.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -62.09 151.06 36.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.8 t -130.93 164.97 24.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -52.17 -26.28 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.0 p -79.6 12.44 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.83 29.12 58.26 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.41 ' CB ' HD22 ' A' ' 29' ' ' LEU . 2.6 m -116.28 165.72 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.56 HG22 HG21 ' A' ' 35' ' ' VAL . 8.8 m -112.79 124.72 53.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.099 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 4.4 m-85 -122.06 179.66 4.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.0 p -99.64 161.13 13.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.432 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -44.44 -21.55 0.28 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.1 m -83.62 -52.93 6.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.1 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.416 ' O ' ' HD2' ' A' ' 58' ' ' HIS . 29.6 m80 -100.62 32.19 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.401 ' HA ' ' HB2' ' A' ' 48' ' ' PHE . 8.5 ptm180 -73.86 -36.62 64.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.592 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 2.1 m-85 -75.97 149.45 82.71 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.692 0.758 . . . . 0.0 110.946 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.565 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.6 Cg_endo -69.74 -35.52 12.55 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.718 2.279 . . . . 0.0 112.312 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.5 pm0 -72.08 -26.1 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 m -78.95 -32.74 45.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 54' ' ' TYR . 8.1 p80 -113.59 171.84 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -86.21 88.69 7.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.3 t -70.24 96.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -56.91 -46.99 81.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -44.34 138.37 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.817 HG22 HG23 ' A' ' 35' ' ' VAL . 16.3 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.82 0.343 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.595 ' HA ' HG22 ' A' ' 35' ' ' VAL . 62.9 mtt180 -144.78 159.73 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.3 t -45.51 169.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.566 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 21.9 tp -105.23 -16.55 14.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.3 m -108.38 -40.57 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 p -108.69 -1.46 19.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.9 m120 44.01 41.43 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.568 ' O ' HG13 ' A' ' 35' ' ' VAL . 77.1 tttt -92.25 141.59 28.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -50.73 105.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.817 HG23 HG22 ' A' ' 26' ' ' THR . 23.2 m -109.76 -14.91 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.585 ' O ' HG21 ' A' ' 26' ' ' THR . . . 35.12 -113.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.7 p -92.59 -31.19 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 0.0 111.115 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.3 p -60.25 -21.15 61.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.497 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -44.92 167.04 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -127.71 107.96 10.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -57.12 145.16 31.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.2 t -124.26 164.72 18.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -50.76 -26.92 6.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.9 p -81.69 13.76 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.16 25.04 56.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 m -109.77 167.0 10.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.95 0.405 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.6 m -112.19 128.7 56.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 12.0 m-85 -125.77 176.67 6.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.4 p -100.23 161.58 13.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.01 -21.56 0.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.6 m -82.89 -50.57 8.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -103.77 31.22 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -76.35 -30.65 57.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -85.55 151.56 56.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.72 0.772 . . . . 0.0 110.913 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.431 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 54.5 Cg_endo -69.72 -49.48 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.686 2.257 . . . . 0.0 112.391 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -47.16 -34.32 6.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -77.36 -30.32 53.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.551 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.0 p-80 -127.78 114.99 17.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -49.5 92.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 58' ' ' HIS . 5.2 t -60.4 112.49 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -61.57 -52.47 64.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -47.96 136.46 11.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.8 m -143.25 154.23 43.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -101.85 150.96 22.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.71 154.56 8.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -162.43 147.36 12.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.892 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 p -154.15 131.12 10.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.17 148.53 12.78 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.5 p -123.67 146.58 48.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 111.075 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -134.9 142.48 46.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.39 -162.45 25.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -109.98 47.76 1.01 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.502 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' SER . 5.7 t70 -79.39 -50.87 10.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.779 0.323 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' ASP . 9.2 t -35.04 124.85 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.37 -43.21 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.15 133.94 25.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.4 144.63 4.56 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 161.01 47.6 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.647 2.231 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 tt -55.15 100.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -143.04 155.72 62.09 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.604 0.716 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 168.35 21.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.718 2.279 . . . . 0.0 112.292 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 0.8 5.11 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.383 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -56.03 -41.9 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.9 p -168.07 151.04 5.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -144.65 137.65 26.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -146.12 179.24 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.069 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.682 HG22 HG23 ' A' ' 35' ' ' VAL . 3.1 m -124.71 115.77 21.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -140.2 171.01 14.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -60.25 166.61 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.503 HD22 ' CB ' ' A' ' 46' ' ' SER . 64.9 tp -101.13 -10.55 20.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -116.89 -41.75 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 33' ' ' LYS . 15.4 p -106.18 2.7 27.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.1 m120 40.18 38.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.426 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 78.0 tttt -88.99 144.15 26.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -59.37 101.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.682 HG23 HG22 ' A' ' 26' ' ' THR . 30.2 m -103.1 -19.31 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.632 ' O ' HG21 ' A' ' 26' ' ' THR . . . 42.08 -115.76 0.94 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.535 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.53 HG13 ' N ' ' A' ' 38' ' ' THR . 12.5 p -87.71 -45.99 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.53 ' N ' HG13 ' A' ' 37' ' ' VAL . 68.0 p -47.15 -28.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.438 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -37.19 156.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.471 ' CE1' ' HA2' ' A' ' 50' ' ' GLY . 36.0 m-85 -113.93 102.92 10.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.946 0.403 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -55.82 148.13 17.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.1 t -123.04 167.05 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.411 ' HD2' ' CE1' ' A' ' 64' ' ' PHE . 4.4 mtt-85 -57.11 -25.74 59.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.2 p -80.48 -11.35 59.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.49 -38.04 3.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.503 ' CB ' HD22 ' A' ' 29' ' ' LEU . 18.4 m -50.92 172.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.93 0.395 . . . . 0.0 110.857 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 m -124.16 128.86 49.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.472 ' CE2' ' CD2' ' A' ' 58' ' ' HIS . 2.9 m-85 -120.58 173.79 6.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.8 p -94.42 -179.86 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.471 ' HA2' ' CE1' ' A' ' 40' ' ' PHE . . . -67.12 -1.26 12.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.484 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.0 m -104.84 -34.36 8.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 0.0 111.133 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -116.32 25.89 10.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.435 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 11.7 ptt85 -68.47 -35.22 77.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.435 ' CD1' ' HG2' ' A' ' 53' ' ' ARG . 1.4 m-85 -74.85 150.93 86.44 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.727 0.775 . . . . 0.0 110.902 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.22 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -50.6 -30.78 14.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 m -78.31 -29.72 47.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.542 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 11.8 p-80 -129.24 115.71 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -47.73 93.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.3 t -60.11 114.85 3.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -64.35 -47.38 79.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -57.8 118.03 4.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -59.9 115.22 3.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' GLY . 22.5 m-85 -64.02 128.6 36.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' PHE . 24.0 mtmm 35.45 33.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . 78.72 -59.88 4.13 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.0 p -49.78 140.19 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.347 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.53 140.34 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.7 m -125.08 -45.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.46 80.76 0.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 114.49 3.72 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.735 2.29 . . . . 0.0 112.332 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.9 m -86.88 143.56 27.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.6 t -84.45 103.79 13.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.506 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -168.67 155.83 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.814 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -167.03 148.63 5.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.94 135.75 2.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 t -136.8 124.66 22.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -149.08 141.55 24.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.809 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.25 138.02 6.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.9 m -135.81 124.76 24.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.802 0.334 . . . . 0.0 111.111 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.2 ttt85 -111.57 159.95 17.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.68 -126.25 7.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.441 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 128.81 47.07 0.17 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.456 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.36 143.09 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.7 m -122.24 111.4 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.42 171.16 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.602 ' HB2' ' HA ' ' A' ' 46' ' ' SER . . . -101.45 109.94 21.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.074 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.479 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -159.25 157.66 27.64 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.585 0.707 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.479 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 54.0 Cg_endo -69.78 178.61 4.41 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.647 2.231 . . . . 0.0 112.37 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' PRO . 10.6 tp -35.62 -48.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -112.88 140.58 24.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.709 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 131.58 21.57 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 22' ' ' LYS . 53.9 Cg_endo -69.77 117.74 5.26 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.728 2.285 . . . . 0.0 112.381 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' PRO . 14.1 tppt? -35.41 -48.48 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.3 m -89.96 153.1 20.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 t -83.16 144.6 29.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -170.25 173.09 5.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.637 HG22 HG23 ' A' ' 35' ' ' VAL . 20.5 m -142.07 111.07 6.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' NH1' ' HD3' ' A' ' 34' ' ' LYS . 79.2 mtt-85 -138.06 169.62 17.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -62.49 168.4 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 27.7 tp -105.04 -10.1 17.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -109.87 -46.86 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.0 p -105.66 -10.53 16.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 57.04 47.14 18.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.536 ' O ' HG13 ' A' ' 35' ' ' VAL . 8.7 ttpt -98.59 137.56 37.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.421 ' HD3' ' NH1' ' A' ' 27' ' ' ARG . 15.1 tptp -54.32 96.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.637 HG23 HG22 ' A' ' 26' ' ' THR . 35.4 m -91.69 -30.55 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.71 -130.14 6.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 p -74.35 -27.93 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.377 . . . . 0.0 111.119 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.9 p -83.93 29.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.177 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.47 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -97.16 178.11 32.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.506 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.494 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 3.9 m-85 -133.59 106.74 7.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -63.88 165.96 7.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.3 t -134.33 165.38 25.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -52.9 -32.16 43.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.1 p -72.78 -20.23 61.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.68 -32.57 7.0 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.53 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.602 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 13.9 m -57.0 166.04 1.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.928 0.394 . . . . 0.0 110.893 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.447 HG22 HG21 ' A' ' 35' ' ' VAL . 5.7 m -115.79 129.98 56.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 4.4 m-85 -123.35 175.63 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.8 p -98.98 169.21 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.494 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -51.73 -19.15 4.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.1 m -85.91 -50.26 7.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -103.58 33.47 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 10.0 ptt180 -75.95 -34.38 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.408 ' CD1' ' HG2' ' A' ' 53' ' ' ARG . 3.2 m-85 -75.94 152.96 84.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.701 0.763 . . . . 0.0 110.915 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.432 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.77 -37.04 9.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.2 -35.08 76.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -74.85 -30.93 61.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.539 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.8 p-80 -125.14 114.85 19.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -45.4 96.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 6.6 t -72.93 104.92 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -41.55 98.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -46.83 132.24 11.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -58.97 129.56 42.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 8.1 m-85 -93.51 178.96 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -117.96 161.44 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.46 66.63 1.29 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.92 -18.51 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 111.112 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.6 119.42 3.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.4 170.64 13.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.18 85.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 3.15 2.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.6 m -72.39 165.06 25.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.7 t -95.31 45.89 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.435 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t 54.2 42.1 31.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 t -50.17 172.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.56 -158.62 11.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.4 m -140.09 155.46 47.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -155.02 160.62 41.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.12 -138.49 2.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.6 p -151.93 109.42 3.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -76.55 168.02 20.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.8 137.41 3.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.445 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.56 62.79 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -125.99 98.24 5.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 81.3 p -134.72 153.52 51.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.87 -61.27 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.101 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.54 81.45 8.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.422 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -174.39 155.99 2.25 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.565 0.698 . . . . 0.0 111.074 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 53.1 Cg_endo -69.75 152.35 69.34 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.307 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -38.97 -60.54 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.56 139.69 1.91 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.721 . . . . 0.0 110.863 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.405 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 54.3 Cg_endo -69.75 118.69 5.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 20' ' ' PRO . 53.8 Cg_endo -69.76 150.19 67.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.334 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -57.53 -46.91 83.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 m -128.32 135.26 49.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.2 p -84.0 119.45 24.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -149.53 177.32 9.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.6 HG22 ' CG2' ' A' ' 35' ' ' VAL . 24.0 m -110.6 125.1 53.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.159 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -152.15 163.21 39.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -51.62 168.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.475 HD22 ' CB ' ' A' ' 46' ' ' SER . 39.8 tp -104.61 -11.35 16.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -111.99 -42.85 3.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -109.98 0.39 18.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.0 m120 42.89 47.75 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.783 ' O ' HG13 ' A' ' 35' ' ' VAL . 23.8 tttp -98.57 131.61 44.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -42.75 105.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 33' ' ' LYS . 34.0 m -109.13 -20.87 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.95 -129.3 4.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.59 -36.68 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.938 0.399 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.6 p -57.35 -27.02 61.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.183 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.489 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -42.13 161.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.453 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 5.2 m-85 -114.21 116.92 29.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.95 0.405 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -70.04 150.11 46.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.0 t -120.7 163.85 17.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -53.21 -28.13 25.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.8 p -75.34 -21.08 58.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.7 -32.43 7.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.475 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.6 m -60.11 165.43 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.963 0.411 . . . . 0.0 110.831 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.488 ' CG2' HG21 ' A' ' 35' ' ' VAL . 17.7 m -108.1 148.73 29.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 47' ' ' THR . 8.8 m-85 -142.06 174.3 10.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.3 p -100.51 163.42 12.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.453 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -46.2 -22.84 1.01 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.435 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.8 m -82.39 -47.92 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.342 . . . . 0.0 111.137 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -106.58 32.68 4.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -75.63 -37.4 59.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -75.08 152.37 86.33 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 110.967 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.464 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.9 Cg_endo -69.75 -40.15 5.68 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.706 2.271 . . . . 0.0 112.328 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -60.78 -30.22 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.0 p -78.28 -31.18 48.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.7 p-80 -124.0 116.5 22.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -47.26 93.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.434 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 4.7 t -62.45 126.32 26.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -76.88 -45.39 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -48.82 135.97 14.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.93 117.37 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 13.2 m-85 -75.36 -178.92 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.581 ' O ' HG13 ' A' ' 67' ' ' VAL . 24.3 mmmt -83.23 39.41 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.64 42.71 1.05 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 65' ' ' LYS . 28.5 m -102.3 132.2 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 111.129 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.46 96.1 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.0 t -112.14 110.61 20.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.93 75.02 1.09 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -12.45 32.82 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.373 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.8 t -48.87 141.53 7.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 98.2 p -72.82 153.91 40.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.482 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -169.04 171.15 8.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.924 0.392 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -134.97 175.48 9.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.18 -163.95 11.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.0 p -164.64 162.17 21.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -167.0 173.35 9.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.26 141.94 7.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.5 p -124.74 131.27 53.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.1 mmm-85 -95.38 -49.82 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.25 -174.41 26.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.59 -102.02 2.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.534 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -116.97 109.96 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.9 p -106.06 177.95 4.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.87 45.22 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 50.53 39.1 20.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.84 142.51 0.75 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 93.05 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 tp -171.29 156.48 4.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -42.58 151.73 0.37 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.621 0.724 . . . . 0.0 110.846 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 118.81 5.9 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -165.72 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.289 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.54 109.66 21.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.7 t 40.32 54.36 2.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.1 m -130.8 94.48 3.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.3 -56.67 6.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.563 HG22 ' CG2' ' A' ' 35' ' ' VAL . 8.4 m -162.48 127.33 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -145.65 173.38 12.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.417 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 9.9 t -66.4 167.74 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.606 HD22 ' CB ' ' A' ' 46' ' ' SER . 40.4 tp -102.79 -10.84 18.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -114.3 -41.58 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 28' ' ' CYS . 23.4 p -105.93 -7.97 17.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 m120 53.24 36.84 23.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.483 ' O ' HG13 ' A' ' 35' ' ' VAL . 22.0 tttp -92.42 139.16 30.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -56.31 105.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.563 ' CG2' HG22 ' A' ' 26' ' ' THR . 34.7 m -101.29 -25.85 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 40.94 -127.81 3.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -77.98 -24.98 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.8 p -85.26 28.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.468 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -96.72 177.61 33.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.538 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 2.9 m-85 -132.15 106.87 8.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 110.846 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -62.26 167.17 4.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.6 t -137.45 163.06 32.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -52.17 -31.49 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.9 p -70.05 -23.25 63.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.0 -27.93 13.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.606 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.3 m -65.63 167.46 9.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.981 0.42 . . . . 0.0 110.862 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.496 HG22 HG21 ' A' ' 35' ' ' VAL . 6.6 m -110.58 141.63 43.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.51 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 6.0 m-85 -134.18 173.82 11.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.8 p -97.41 171.64 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.538 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -55.24 -16.53 9.37 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.7 m -87.42 -45.49 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 111.141 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -109.51 31.59 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -73.55 -39.91 64.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -75.85 152.12 84.66 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.74 . . . . 0.0 110.92 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.447 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.4 Cg_endo -69.81 -49.14 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -48.89 -33.2 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -76.72 -31.12 56.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 11.0 p-80 -126.19 115.2 19.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -46.69 94.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.492 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 4.5 t -64.07 117.52 7.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -68.51 -44.0 75.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -52.38 132.54 34.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.45 113.38 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 24.6 m-85 -66.43 -179.21 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -81.13 44.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' LYS . . . 34.81 48.41 0.71 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.445 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.6 p -122.54 134.18 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.375 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.29 146.57 53.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 99.5 p -80.08 143.33 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.4 103.5 0.17 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 3.38 2.82 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 t 73.42 42.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.9 t -90.33 131.14 36.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.521 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 t -163.47 139.87 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -101.12 144.34 30.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.57 80.88 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.452 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -158.95 157.87 32.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -162.24 128.33 3.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.74 -128.54 1.03 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.2 p -145.05 115.53 7.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.724 0.297 . . . . 0.0 111.155 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.17 85.72 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.89 86.5 1.69 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -137.49 -61.83 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.1 42.16 10.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.832 0.349 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.1 p -104.53 90.35 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.17 130.92 19.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.99 107.79 5.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -165.51 153.13 9.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.9 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.398 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.438 ' H ' HD12 ' A' ' 18' ' ' LEU . 5.4 mp -68.56 85.54 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.84 156.15 34.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.665 0.745 . . . . 0.0 110.815 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 155.6 65.29 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.697 2.265 . . . . 0.0 112.299 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 90.08 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.649 2.232 . . . . 0.0 112.319 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -101.55 -47.59 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.5 m -124.29 77.56 1.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.1 m -58.93 97.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.709 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . . . -168.0 156.19 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.589 HG22 ' CG2' ' A' ' 35' ' ' VAL . 41.3 m -93.63 121.14 34.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.709 ' NH1' ' HB3' ' A' ' 25' ' ' ALA . 48.3 mtt85 -148.53 170.54 17.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -61.14 169.11 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 14.3 tp -106.19 -11.73 15.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 m -108.63 -46.01 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.1 p -106.67 -9.52 16.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.0 t30 55.71 48.5 18.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.644 ' O ' HG13 ' A' ' 35' ' ' VAL . 23.9 tttp -100.72 133.98 44.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -48.37 102.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 33' ' ' LYS . 34.3 m -100.91 -28.89 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.85 -132.47 6.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.9 p -76.3 -24.96 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.5 p -87.79 33.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.47 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -97.1 -169.24 33.38 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 5.4 m-85 -139.79 110.61 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.882 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -70.25 160.58 31.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.7 t -131.1 165.01 24.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -52.75 -31.71 39.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 p -72.24 -20.8 61.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.62 -32.29 7.26 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.455 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.5 m -58.71 164.23 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.932 0.396 . . . . 0.0 110.894 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.512 HG22 HG21 ' A' ' 35' ' ' VAL . 19.9 m -111.38 140.18 46.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 3.0 m-85 -132.77 178.32 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.8 p -95.86 -174.65 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.443 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -79.82 24.31 3.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.6 m -129.03 -29.84 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.82 0.343 . . . . 0.0 111.177 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 53' ' ' ARG . 45.7 m80 -114.25 -8.12 12.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.823 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 52' ' ' HIS . 3.8 ptm180 -36.67 -34.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 52' ' ' HIS . 8.2 m-85 -72.77 148.88 90.1 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.734 0.778 . . . . 0.0 110.91 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.429 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.78 -38.72 7.37 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.33 -34.66 74.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 t -74.02 -32.05 63.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.531 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 15.9 p-80 -124.8 114.75 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -47.55 94.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.2 t -63.52 133.24 53.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -86.46 -39.69 16.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -59.16 113.9 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.26 120.94 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -69.15 179.43 1.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -55.08 -48.62 73.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.39 62.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' ALA . 8.9 p -128.16 -37.94 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -33.85 138.17 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.3 m -52.77 -55.95 19.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 155.94 -76.18 0.21 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 143.09 49.55 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 t -153.4 150.12 28.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.2 m -41.14 159.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.53 -179.937 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.4 p -150.87 118.57 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.363 . . . . 0.0 110.874 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -161.69 158.9 26.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.36 117.63 1.24 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -154.73 116.21 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -163.62 172.85 13.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.8 63.75 0.46 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.2 m -106.17 144.06 33.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 111.156 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.47 172.05 8.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.5 -158.36 19.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.21 109.05 2.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.529 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -104.75 45.97 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.4 p -113.2 83.66 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.65 138.09 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.52 30.33 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . . . -45.28 104.08 0.37 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.537 0.684 . . . . 0.0 111.065 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' ASP . 53.5 Cg_endo -69.77 -176.35 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.391 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.508 HD12 ' H ' ' A' ' 18' ' ' LEU . 5.4 mp -60.73 78.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' PRO . 2.6 m-20 -140.8 156.41 68.82 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.588 0.708 . . . . 0.0 110.858 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 169.94 17.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 88.93 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' SER . 10.4 tmtt? -150.56 130.36 13.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' LYS . 13.9 t -33.17 118.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -119.79 163.47 17.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -107.93 -176.94 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.586 HG22 ' CG2' ' A' ' 35' ' ' VAL . 2.9 m -138.39 119.82 14.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -142.15 169.56 17.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 8.6 t -58.21 168.5 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 52.5 tp -101.98 -11.9 18.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 m -116.69 -39.13 3.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.404 ' SG ' ' CB ' ' A' ' 28' ' ' CYS . 16.7 p -108.71 0.29 20.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 41.66 44.05 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.61 ' O ' HG13 ' A' ' 35' ' ' VAL . 41.5 tttm -95.57 136.99 35.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -52.33 98.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 33' ' ' LYS . 32.6 m -95.51 -27.55 4.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' VAL . . . 37.05 -135.52 0.74 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.34 -11.25 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.931 0.396 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -99.31 30.85 3.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.477 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -99.42 -175.23 31.33 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 1.4 m-85 -134.49 105.77 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.399 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -62.75 154.73 28.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.1 t -132.33 166.81 21.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -55.81 -30.66 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -74.53 -0.95 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.63 -35.54 3.04 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.566 ' CB ' HD22 ' A' ' 29' ' ' LEU . 4.7 m -56.08 165.45 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.545 HG22 HG21 ' A' ' 35' ' ' VAL . 22.5 m -115.4 133.63 55.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 2.2 m-85 -126.28 173.66 9.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.1 p -92.62 -174.33 3.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.411 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -79.63 19.75 5.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 83.7 m -124.62 -25.23 4.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.114 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -120.52 -1.54 10.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -42.85 -36.47 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.45 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 5.2 m-85 -68.21 145.72 97.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.692 0.758 . . . . 0.0 110.909 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.585 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.81 -31.54 20.1 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.626 2.218 . . . . 0.0 112.36 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -76.15 -23.47 54.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -83.79 -27.69 28.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.585 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 6.8 p-80 -119.58 167.16 12.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -83.6 87.16 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.498 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 4.6 t -73.98 84.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -52.27 -50.59 61.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -39.15 126.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.03 108.45 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.498 ' CZ ' ' SG ' ' A' ' 60' ' ' CYS . 51.0 m-85 -61.02 -51.97 66.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -172.99 172.02 4.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -44.02 -30.96 1.9 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.473 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.632 HG22 ' HB3' ' A' ' 69' ' ' SER . 9.0 p -43.79 -28.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . 36.13 48.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.066 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.632 ' HB3' HG22 ' A' ' 67' ' ' VAL . 78.3 p -100.59 -49.71 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.49 -145.62 42.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.54 21.45 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 t -170.73 157.49 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 m -111.76 -61.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.523 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -156.5 142.08 17.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.912 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -172.74 161.79 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.56 -137.38 2.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 t -156.13 159.97 39.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 m -149.09 161.61 41.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.9 -143.74 4.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.5 m -143.75 115.86 8.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 111.164 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.78 118.42 35.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.58 -133.42 2.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.9 92.57 2.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -100.19 163.79 12.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 t -53.15 97.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.13 110.51 5.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.591 ' HB3' ' OG1' ' A' ' 26' ' ' THR . . . -99.7 109.84 22.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -146.43 153.36 47.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 172.02 13.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 0.0 112.321 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 mt -48.94 -55.4 11.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -82.33 151.77 66.45 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.625 0.726 . . . . 0.0 110.861 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.447 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 53.7 Cg_endo -69.79 115.39 4.07 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 20' ' ' PRO . 53.9 Cg_endo -69.8 155.33 66.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.722 2.282 . . . . 0.0 112.333 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -49.6 -26.8 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.41 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 64.6 p -165.73 153.32 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 t -49.23 133.92 18.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.162 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -170.41 -178.12 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.696 HG22 HG23 ' A' ' 35' ' ' VAL . 13.9 m -157.96 110.55 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.097 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -140.92 168.12 20.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -53.96 168.06 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 46' ' ' SER . 51.3 tp -103.92 -10.63 18.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -114.32 -39.33 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.0 p -112.19 1.52 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 m120 41.07 51.64 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.645 ' O ' HG13 ' A' ' 35' ' ' VAL . 24.9 tttm -101.87 139.09 37.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -50.29 101.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.696 HG23 HG22 ' A' ' 26' ' ' THR . 26.8 m -104.45 -20.46 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' O ' HG21 ' A' ' 26' ' ' THR . . . 40.42 -123.24 2.21 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.8 p -85.79 -33.07 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.377 . . . . 0.0 111.12 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -61.19 -18.18 56.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.469 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -47.28 166.02 0.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.4 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 15.8 m-85 -120.45 99.84 6.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.937 0.398 . . . . 0.0 110.919 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 3.4 tppp? -49.39 151.45 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 13.5 t -129.75 168.07 17.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -56.23 -29.42 60.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.9 p -77.45 0.8 21.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.52 -20.06 6.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.474 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.4 m -68.44 171.99 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.93 0.395 . . . . 0.0 110.897 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.428 HG22 HG21 ' A' ' 35' ' ' VAL . 10.4 m -118.07 128.46 54.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 48' ' ' PHE . 3.4 m-85 -121.51 175.67 6.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.4 p -98.22 171.9 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.4 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -54.92 -14.14 5.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.7 m -91.09 -50.08 6.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.849 0.357 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -101.85 30.4 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -70.33 -38.23 74.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.45 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 1.7 m-85 -71.61 148.58 92.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.672 0.749 . . . . 0.0 110.919 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.578 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.77 -40.62 5.09 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.341 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -67.98 -21.25 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 m -78.5 -32.82 48.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 17.3 p-80 -118.37 177.69 4.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -87.96 86.93 7.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.1 t -70.46 91.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -52.53 -51.49 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -44.69 146.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -88.36 118.71 28.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -59.88 -175.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -77.11 48.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.25 52.72 45.02 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -139.11 126.12 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 111.148 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.46 98.41 4.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 p -150.81 109.3 3.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.814 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 162.24 64.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -43.18 2.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.644 2.23 . . . . 0.0 112.327 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.0 t -107.83 124.05 49.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.4 p -63.74 83.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.48 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m 55.3 44.86 26.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -146.23 144.95 30.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.29 -173.64 15.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -167.01 153.1 8.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.821 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 m -156.94 169.47 24.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' HA3' ' CZ ' ' A' ' 9' ' ' ARG . . . -113.59 144.32 18.13 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.7 p -91.95 48.65 1.45 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.764 0.316 . . . . 0.0 111.161 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.445 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -142.65 142.43 32.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.87 -133.72 5.71 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.64 -46.62 1.13 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -43.45 -44.5 5.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.3 m -134.88 102.26 5.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.71 160.97 10.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' HB2' ' HA ' ' A' ' 46' ' ' SER . . . -141.15 115.88 9.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.93 147.19 2.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.555 0.693 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -163.73 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.631 2.221 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.491 ' O ' HD12 ' A' ' 18' ' ' LEU . 2.8 pp -42.56 163.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 18' ' ' LEU . 7.9 p-10 -34.07 97.57 0.12 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.57 0.7 . . . . 0.0 110.906 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 19' ' ' ASP . 53.9 Cg_endo -69.73 169.94 17.7 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.665 2.243 . . . . 0.0 112.346 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 170.88 15.55 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.695 2.264 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -40.2 -43.83 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.1 m -89.7 148.74 23.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.9 m -122.08 129.35 52.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.24 176.1 5.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.57 HG22 HG23 ' A' ' 35' ' ' VAL . 4.3 m -134.06 110.85 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -134.14 171.2 14.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -60.8 170.62 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.5 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 28.3 tp -101.38 -15.38 17.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 m -112.51 -43.44 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 p -105.45 2.24 28.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 m120 39.18 44.89 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.567 ' O ' HG13 ' A' ' 35' ' ' VAL . 14.7 tttp -94.51 135.33 36.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 tptm -52.13 96.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.57 HG23 HG22 ' A' ' 26' ' ' THR . 28.4 m -95.71 -25.34 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' VAL . . . 36.82 -128.31 1.09 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -72.21 -26.39 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 111.174 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.3 p -83.52 27.06 0.62 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.438 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -98.26 168.39 23.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 3.3 m-85 -125.24 104.94 8.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.13 164.04 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.7 t -133.22 164.65 26.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -52.97 -30.7 36.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.0 p -74.43 -20.32 60.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.3 -32.35 7.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.429 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 15.7 m -56.79 166.8 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.942 0.401 . . . . 0.0 110.867 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -114.71 132.86 56.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 4.6 m-85 -125.86 172.84 9.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.3 p -98.06 170.86 8.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.449 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -52.72 -15.96 3.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.4 m -88.4 -53.46 4.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 111.15 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -100.66 34.92 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.417 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 9.6 ptt180 -76.61 -33.94 58.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.417 ' CE1' ' HG2' ' A' ' 53' ' ' ARG . 2.8 m-85 -77.08 151.71 81.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.696 0.76 . . . . 0.0 110.931 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.502 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.82 -42.88 2.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.246 . . . . 0.0 112.306 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.11 -32.51 66.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -76.35 -30.36 57.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.6 p-80 -125.24 114.12 18.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -45.62 94.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' HIS . 4.4 t -63.54 115.8 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -69.13 -45.11 70.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -52.06 126.41 18.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.34 119.05 6.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 14.0 m-85 -72.92 -179.03 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -81.23 47.04 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.29 40.7 98.12 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.0 t -111.17 140.95 28.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 111.078 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -110.97 87.37 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 99.7 p -59.82 167.7 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -111.33 103.08 1.52 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.473 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 1.72 4.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.64 2.226 . . . . 0.0 112.373 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.2 p -87.84 153.13 21.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.2 t -91.86 -46.49 7.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.47 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -135.89 174.7 10.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t -147.5 147.57 30.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.91 128.72 2.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -123.97 154.25 40.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -148.92 163.52 37.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.65 74.21 0.3 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.3 p -139.63 134.59 32.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.76 0.314 . . . . 0.0 111.17 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -124.58 125.72 44.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.81 134.35 1.63 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.464 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.91 -154.11 9.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.501 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -116.91 -63.1 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.4 m 59.11 42.78 18.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.28 164.02 38.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.83 97.67 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -151.22 109.53 3.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.573 0.701 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -177.43 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -53.32 107.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.02 154.18 44.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 170.08 17.5 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 8.3 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.632 2.221 . . . . 0.0 112.354 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' O ' HG23 ' A' ' 24' ' ' THR . 10.7 ttpt -88.04 158.54 18.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -53.86 95.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 22' ' ' LYS . 68.4 p -120.03 165.23 14.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.45 169.95 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.767 HG22 HG23 ' A' ' 35' ' ' VAL . 3.0 m -71.21 137.1 48.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.112 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.731 ' HA ' HG22 ' A' ' 35' ' ' VAL . 70.2 mtt180 -156.15 168.39 27.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -55.62 167.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.495 HD22 ' CB ' ' A' ' 46' ' ' SER . 17.8 tp -106.39 -10.8 16.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -108.11 -46.32 3.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.5 p -105.76 -11.41 16.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 58.24 44.49 18.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -96.76 141.33 30.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -51.08 110.78 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.767 HG23 HG22 ' A' ' 26' ' ' THR . 8.8 m -117.21 -13.77 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 35' ' ' VAL . . . 31.71 -102.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.461 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 38' ' ' THR . 7.5 p -93.88 -45.07 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 111.1 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.485 ' N ' HG13 ' A' ' 37' ' ' VAL . 30.8 p -48.05 -22.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.495 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -43.01 158.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -124.71 108.14 11.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -57.6 151.54 16.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.6 t -130.32 165.28 22.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 -53.07 -26.4 15.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 7.6 p -81.06 10.15 5.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.97 31.05 74.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.495 ' CB ' HD22 ' A' ' 29' ' ' LEU . 5.0 m -116.77 166.57 11.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.865 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m -112.85 126.9 55.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.55 ' CE2' ' CD2' ' A' ' 58' ' ' HIS . 11.9 m-85 -123.63 178.3 5.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.4 p -101.01 161.85 13.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.74 -19.7 0.54 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.2 m -85.17 -47.52 10.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 111.148 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -106.72 31.63 5.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -73.67 -36.3 65.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.439 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 3.3 m-85 -72.63 146.87 88.95 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.676 0.75 . . . . 0.0 110.91 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -38.83 7.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.4 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 pm0 -68.2 -30.79 69.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.3 m -74.62 -33.19 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.55 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 9.9 p-80 -120.45 120.57 36.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 59' ' ' GLU . 4.7 mp0 -43.12 97.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.1 t -76.95 95.96 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -47.8 -41.07 22.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.4 ' CE2' ' O ' ' A' ' 63' ' ' ASP . 31.6 t80 -50.38 142.79 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.4 ' O ' ' CE2' ' A' ' 62' ' ' PHE . 6.7 m-20 -69.74 136.79 51.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -105.06 -61.16 1.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -114.93 40.54 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.07 48.33 48.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.3 p -109.81 135.79 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.03 124.12 8.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.7 p -93.81 124.5 37.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.81 89.83 0.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 179.13 3.92 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t -53.96 150.15 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.0 m -98.91 127.81 44.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.489 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -160.4 151.54 19.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.856 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.7 m -126.04 169.06 13.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.9 -124.06 0.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -128.8 131.8 47.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.7 p -162.97 158.29 22.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.23 131.49 1.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 m -157.27 137.72 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 111.157 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.1 ptt85 -81.43 149.18 28.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.45 121.33 25.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.465 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.06 123.88 8.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.8 -52.86 36.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.6 m -123.74 87.02 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.823 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.78 125.23 45.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.077 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.51 96.1 8.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.71 154.25 2.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.568 0.699 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 18' ' ' LEU . 53.6 Cg_endo -69.73 179.04 3.96 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 17' ' ' PRO . 3.8 tt -34.29 -52.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -141.23 118.6 7.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.89 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 137.63 35.7 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -24.21 29.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.37 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -126.21 164.56 20.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 22' ' ' LYS . 17.5 m -35.75 138.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 24' ' ' THR . 10.2 t -53.63 119.76 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.408 ' HB1' ' HZ2' ' A' ' 34' ' ' LYS . . . -156.25 175.05 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.439 HG22 ' CG2' ' A' ' 35' ' ' VAL . 8.4 m -103.49 125.48 50.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HG3' ' C ' ' A' ' 26' ' ' THR . 74.3 mtt-85 -150.1 163.26 38.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.8 t -51.03 168.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.508 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 23.3 tp -105.15 -12.76 15.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.4 m -107.09 -47.08 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.7 -12.58 16.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 58.46 47.32 13.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.685 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -100.48 141.65 33.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HZ2' ' HB1' ' A' ' 25' ' ' ALA . 39.8 tptt -51.85 101.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 33' ' ' LYS . 31.8 m -105.06 -21.78 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.32 -125.42 3.24 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 38' ' ' THR . 8.0 p -79.15 -45.55 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 111.104 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.496 ' N ' HG13 ' A' ' 37' ' ' VAL . 72.4 p -49.11 -32.43 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.486 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -38.32 156.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.403 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 8.5 m-85 -109.77 122.06 46.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.863 0.363 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tttm -72.55 150.26 43.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.8 t -121.99 164.65 17.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -53.06 -28.91 27.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 p -75.58 -20.43 58.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.17 -32.2 7.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.48 ' CB ' HD22 ' A' ' 29' ' ' LEU . 13.4 m -58.02 166.62 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.41 . . . . 0.0 110.845 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.468 HG22 HG21 ' A' ' 35' ' ' VAL . 7.5 m -110.45 139.76 45.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 14.9 m-85 -132.93 177.49 7.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.8 p -102.88 167.59 9.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -51.01 -19.02 3.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 m -86.2 -48.6 8.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.796 0.331 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -106.39 34.98 3.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -76.15 -38.65 56.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -72.66 153.09 91.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.719 0.771 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.459 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.3 Cg_endo -69.79 -36.2 11.15 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.685 2.256 . . . . 0.0 112.303 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -63.12 -36.43 83.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -70.67 -31.47 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.533 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 15.5 p-80 -124.96 114.14 18.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -45.86 92.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 58' ' ' HIS . 5.1 t -63.49 129.23 39.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -80.76 -42.52 21.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -49.36 141.93 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.52 111.28 11.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -63.06 -178.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.536 ' HB2' HG22 ' A' ' 67' ' ' VAL . 64.2 mttm -95.47 177.76 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.39 -32.8 85.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.536 HG22 ' HB2' ' A' ' 65' ' ' LYS . 9.9 m -38.96 102.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' SER . . . -128.61 73.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 68' ' ' ALA . 4.1 m 34.09 41.41 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.28 121.74 5.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -36.64 10.47 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.374 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.8 p -160.65 154.04 21.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 56.0 p -114.91 103.38 10.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.509 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -150.79 110.39 4.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.868 0.366 . . . . 0.0 110.907 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -155.25 176.36 12.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.08 -176.06 17.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -123.81 96.55 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.833 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -108.62 155.15 21.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.76 136.65 5.79 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.55 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 8' ' ' THR . 11.5 t -97.51 95.95 7.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 111.176 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -126.33 -43.62 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.48 -127.1 1.68 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.514 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.75 -45.24 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.38 112.29 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.817 0.341 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 t -100.35 165.64 11.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.1 81.06 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.418 ' HB1' ' HA ' ' A' ' 29' ' ' LEU . . . 43.53 40.38 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.516 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -88.5 158.97 47.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.516 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 53.5 Cg_endo -69.79 -172.7 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.667 2.244 . . . . 0.0 112.33 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -55.35 -55.2 34.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.82 150.36 95.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.554 0.693 . . . . 0.0 110.887 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.84 11.48 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 145.68 57.84 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.348 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -60.3 -39.96 88.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.6 t -120.3 148.23 43.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -86.48 44.67 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.78 164.38 26.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.508 HG22 ' CG2' ' A' ' 35' ' ' VAL . 5.7 m -109.72 126.3 53.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -149.36 168.19 24.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 t -58.07 167.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.418 ' HA ' ' HB1' ' A' ' 15' ' ' ALA . 21.5 tp -103.08 -11.82 17.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -112.74 -43.6 3.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.2 p -104.22 -6.06 21.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.5 t30 50.22 40.45 22.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.532 ' O ' HG13 ' A' ' 35' ' ' VAL . 18.0 ttmm -94.34 140.33 29.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.65 106.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.571 HG21 HG22 ' A' ' 47' ' ' THR . 33.8 m -106.21 -24.43 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.92 -117.2 0.81 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 p -86.44 -23.78 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.3 p -84.16 31.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -99.87 -176.76 30.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -138.52 112.49 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.923 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -65.74 158.35 27.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.1 t -136.37 164.87 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -51.33 -27.03 8.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 p -81.09 15.15 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.34 27.96 48.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -111.7 167.22 10.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 110.883 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.571 HG22 HG21 ' A' ' 35' ' ' VAL . 5.5 m -115.45 123.21 48.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.512 ' N ' ' CD1' ' A' ' 48' ' ' PHE . 1.6 m-85 -119.82 176.25 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.3 p -92.88 -176.3 4.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.19 19.95 6.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.0 m -126.15 -24.23 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 111.157 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -118.45 -6.93 10.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -39.57 -36.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -72.05 144.11 87.16 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.715 0.769 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 54.2 Cg_endo -69.75 -42.43 3.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.246 . . . . 0.0 112.364 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -54.14 -29.83 46.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.8 t -84.17 -27.63 27.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 6.7 p-80 -127.9 116.95 20.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.6 90.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 8.2 t -59.53 110.22 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -61.23 -37.81 84.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -65.69 121.25 14.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -51.12 137.31 22.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 39.0 m-85 -92.81 178.36 5.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -113.29 -45.23 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.56 69.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 p -114.09 -27.01 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 111.128 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.01 40.6 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.8 t -78.59 93.36 4.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.819 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -146.35 -158.09 7.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 121.66 8.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.244 . . . . 0.0 112.359 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.0 t -50.36 161.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.2 p -80.79 167.02 20.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.507 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 t -168.63 127.13 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.816 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 t -174.64 165.55 3.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.61 -172.02 20.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -146.97 117.48 7.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.884 0.373 . . . . 0.0 110.832 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 t -76.84 -53.59 7.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.61 138.69 8.81 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.8 p -130.99 116.42 17.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.735 0.302 . . . . 0.0 111.129 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -92.2 161.99 14.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.65 106.36 0.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.91 118.22 4.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -141.2 109.71 5.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 m -53.2 152.22 4.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.91 124.78 43.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.32 44.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -158.27 156.15 27.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.562 0.696 . . . . 0.0 111.086 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 54.1 Cg_endo -69.72 -172.82 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.377 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -39.51 103.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -110.0 153.32 43.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.678 0.751 . . . . 0.0 110.86 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.427 ' C ' ' H ' ' A' ' 22' ' ' LYS . 53.5 Cg_endo -69.79 170.07 17.46 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 12.59 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 23' ' ' SER . 10.0 tmtt? -75.39 150.98 38.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.477 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 29.1 t -34.97 -48.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 24' ' ' THR . 28.6 m 40.28 49.17 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.43 172.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.683 HG22 HG23 ' A' ' 35' ' ' VAL . 16.1 m -80.38 119.74 23.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -143.92 167.63 21.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.6 t -58.72 167.8 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.611 HD22 ' CB ' ' A' ' 46' ' ' SER . 46.1 tp -101.65 -10.31 20.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -115.68 -44.37 2.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.2 p -103.77 -2.15 26.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.6 m120 46.04 37.23 3.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 35' ' ' VAL . 20.5 ttmt -88.11 140.68 29.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -57.67 98.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.683 HG23 HG22 ' A' ' 26' ' ' THR . 27.6 m -95.25 -29.38 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 42.9 -131.3 5.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 p -73.89 -26.73 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.93 0.395 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.6 p -83.18 26.37 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.439 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -92.76 -174.41 41.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 1.8 m-85 -143.31 109.01 5.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -64.24 164.2 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.5 t -134.26 164.64 26.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -51.66 -33.1 32.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -71.04 -22.14 62.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.63 -30.19 9.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.611 ' CB ' HD22 ' A' ' 29' ' ' LEU . 6.3 m -62.48 164.78 6.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.889 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.6 m -108.56 140.43 41.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.164 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 8.9 m-85 -132.98 173.81 11.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.9 p -99.86 166.73 10.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.83 -24.21 4.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.2 m -80.86 -48.25 12.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 111.169 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -106.34 31.72 4.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.434 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 9.7 ptt180 -75.45 -32.92 60.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.434 ' CD1' ' HG2' ' A' ' 53' ' ' ARG . 2.6 m-85 -78.25 150.88 77.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.679 0.752 . . . . 0.0 110.886 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.464 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.74 -41.45 4.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 57' ' ' SER . 4.4 pt-20 -59.03 -32.42 69.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 2.5 m -75.61 -31.32 59.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 13.4 p-80 -124.59 114.88 19.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 59' ' ' GLU . 24.6 mp0 -45.22 96.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.33 120.83 13.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -73.32 -45.82 53.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -57.13 132.2 52.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -59.48 138.8 57.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 67' ' ' VAL . 15.6 m-85 -90.64 30.77 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 65' ' ' LYS . 21.9 tttp 64.06 52.26 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 41.1 69.83 0.47 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.493 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 64' ' ' PHE . 13.9 p -137.61 145.31 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.346 . . . . 0.0 111.087 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.08 174.45 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.4 p -102.92 148.56 25.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -110.46 84.89 0.38 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.434 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 91.12 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.707 2.271 . . . . 0.0 112.335 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 p -72.49 108.12 5.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 m -124.1 43.42 3.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.521 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 p -134.2 166.81 21.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.875 0.369 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -146.98 176.05 10.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.63 -170.75 14.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -153.15 164.82 37.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.818 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -166.58 135.77 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.2 145.26 7.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -167.15 164.15 15.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 111.152 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -109.47 162.69 14.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.63 133.58 2.38 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.41 59.15 3.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.512 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -111.45 97.62 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.7 m -131.76 166.66 21.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.84 109.72 15.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.01 39.85 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -157.72 125.88 2.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.527 0.679 . . . . 0.0 111.077 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -172.38 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.7 2.266 . . . . 0.0 112.367 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tp -46.97 118.44 2.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -149.39 161.62 31.32 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.61 0.719 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.94 17.74 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.744 2.296 . . . . 0.0 112.317 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 110.84 2.65 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 23' ' ' SER . 8.9 ttmm -167.82 149.87 5.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.453 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 3.7 m -38.0 124.53 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 t -53.57 148.73 9.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.87 171.29 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.604 HG22 ' CG2' ' A' ' 35' ' ' VAL . 11.1 m -130.44 122.18 27.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.4 mtt85 -146.49 173.08 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.9 t -65.92 167.76 9.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.461 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 46.2 tp -103.91 -10.01 18.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 m -112.33 -45.27 3.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.797 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.4 p -105.32 -9.17 17.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 51.5 t30 53.49 45.21 28.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.531 ' O ' HG13 ' A' ' 35' ' ' VAL . 25.9 tttp -96.7 139.34 32.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -55.6 97.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.604 ' CG2' HG22 ' A' ' 26' ' ' THR . 34.6 m -94.42 -29.45 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 42.05 -133.65 4.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.8 p -72.15 -24.73 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 111.151 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -87.0 29.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.491 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -98.9 178.24 30.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.486 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 6.6 m-85 -130.54 102.96 6.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 110.836 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.31 165.13 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.9 t -136.01 166.13 24.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -54.2 -30.84 51.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 p -79.14 7.85 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.1 -38.5 2.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.457 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.9 m -51.57 166.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 110.864 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.571 HG22 HG21 ' A' ' 35' ' ' VAL . 27.2 m -116.57 139.64 50.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.472 ' CE2' ' CD2' ' A' ' 58' ' ' HIS . 6.7 m-85 -130.21 172.49 11.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.4 p -97.54 170.95 8.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.486 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -53.26 -19.63 8.52 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.6 m -85.64 -48.85 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -104.45 32.6 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.2 ptt85 -73.87 -36.37 64.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -75.79 152.29 84.83 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.686 0.755 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.423 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.3 Cg_endo -69.73 -43.33 2.75 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -54.8 -34.89 63.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 t -73.75 -31.45 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 12.2 p-80 -126.13 113.15 16.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -45.69 96.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.482 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 2.9 t -63.92 125.7 25.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -79.47 -46.12 18.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.429 ' CE2' ' O ' ' A' ' 63' ' ' ASP . 33.0 t80 -52.25 125.13 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.429 ' O ' ' CE2' ' A' ' 62' ' ' PHE . 11.6 t0 -49.55 129.5 19.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.482 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 6.9 m-85 -88.26 177.49 6.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 66' ' ' GLY . 53.7 mtmt -122.99 81.94 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' LYS . . . 34.32 58.97 0.66 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.9 p -106.78 145.31 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.118 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.97 105.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -174.77 174.88 2.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.34 174.51 35.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 87.23 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.69 2.26 . . . . 0.0 112.294 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.2 t -55.81 161.33 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.7 t -43.72 104.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.465 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 t -162.4 165.55 26.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -161.57 173.64 14.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.32 168.61 11.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -65.21 157.11 29.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 m -92.49 141.52 28.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.45 -143.08 10.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.0 m -61.03 93.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 111.131 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -108.86 148.73 30.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.49 -156.27 15.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.512 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.61 -179.67 35.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -161.04 158.84 28.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.748 0.309 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.3 t -96.21 83.16 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.08 163.17 40.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 26' ' ' THR . . . -68.49 95.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -157.78 129.79 4.08 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.531 0.681 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -174.89 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.436 HD12 ' HB3' ' A' ' 19' ' ' ASP . 3.3 pp -40.82 -34.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.436 ' HB3' HD12 ' A' ' 18' ' ' LEU . 4.5 p-10 -123.88 135.78 26.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.878 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 135.53 30.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 156.07 64.52 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.726 2.284 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.94 -50.04 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 24' ' ' THR . 30.8 t -128.43 122.24 30.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' SER . 22.8 p -34.03 136.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.099 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -150.22 166.93 28.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.748 HG22 HG23 ' A' ' 35' ' ' VAL . 16.2 m -132.55 116.0 16.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -144.26 172.56 12.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -61.41 168.76 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.464 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 12.2 tp -106.23 -13.0 15.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -108.32 -44.59 4.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.7 p -107.3 -7.29 16.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.81 46.18 26.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.659 ' O ' HG13 ' A' ' 35' ' ' VAL . 44.2 tttt -97.07 137.25 36.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -50.17 105.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.748 HG23 HG22 ' A' ' 26' ' ' THR . 34.7 m -106.83 -19.6 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.573 ' O ' HG21 ' A' ' 26' ' ' THR . . . 41.2 -118.85 1.4 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.2 p -95.28 -21.23 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.941 0.4 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.7 p -84.72 28.57 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.437 ' C ' ' CD1' ' A' ' 40' ' ' PHE . . . -86.86 -157.94 31.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 27.7 m-85 -148.77 106.47 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER -65.7 155.39 36.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 48.8 t -134.92 165.83 24.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -51.03 -34.68 30.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.6 p -68.68 -22.35 64.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.83 -26.32 24.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -63.22 165.52 7.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.412 . . . . 0.0 110.839 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.513 HG22 HG21 ' A' ' 35' ' ' VAL . 13.3 m -109.93 134.52 52.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 5.5 m-85 -129.4 174.65 9.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.0 p -94.66 -177.98 4.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.85 3.55 9.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.426 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.5 m -109.66 -37.57 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 111.159 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -114.17 32.38 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 7.7 ptt85 -76.24 -35.8 58.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.459 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 3.5 m-85 -71.41 147.95 93.07 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.663 0.744 . . . . 0.0 110.915 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.573 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.77 -33.71 16.0 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.738 2.292 . . . . 0.0 112.332 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -74.21 -26.04 60.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 m -78.31 -31.34 48.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 7.9 p-80 -116.79 171.37 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -85.39 88.2 7.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.0 t -71.09 92.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' PHE . 82.7 mm-40 -54.96 -50.87 67.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' GLN . 5.9 t80 -35.8 126.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.87 97.56 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -54.43 165.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -101.04 177.97 4.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -50.6 -42.73 44.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.442 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.7 p -38.29 142.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 111.108 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.19 112.07 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.9 p -70.23 -33.23 71.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.18 156.43 20.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 135.55 30.73 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.734 2.289 . . . . 0.0 112.298 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.1 t -108.65 103.19 12.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.1 p -88.7 -52.03 5.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.157 -0.801 . . . . 0.0 112.486 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m -134.27 107.02 7.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.398 . . . . 0.0 110.841 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -169.53 105.65 0.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.07 69.9 0.2 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 t -109.19 91.43 3.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.8 p -148.71 173.85 12.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.64 101.07 2.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.485 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.1 p -129.97 40.09 3.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.768 0.318 . . . . 0.0 111.12 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -114.04 119.59 37.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.5 -41.92 0.36 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ASP . . . -99.47 48.49 1.26 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' GLY . 5.9 p-10 -36.7 -45.05 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 m -118.13 110.98 18.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.53 -60.34 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.63 ' HA ' HD13 ' A' ' 29' ' ' LEU . . . -95.78 88.22 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.66 144.53 0.89 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 174.06 10.04 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.726 2.284 . . . . 0.0 112.331 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -49.32 -37.71 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -81.68 141.85 48.71 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.628 0.727 . . . . 0.0 110.852 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 119.16 6.15 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.644 2.23 . . . . 0.0 112.382 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 107.18 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.258 . . . . 0.0 112.326 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -42.87 -41.84 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.5 t -84.61 103.13 13.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.9 m -77.27 106.62 9.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.162 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -171.65 161.88 6.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.529 HG22 ' CG2' ' A' ' 35' ' ' VAL . 5.7 m -85.11 128.05 34.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -152.2 168.37 25.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -55.91 168.96 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.63 HD13 ' HA ' ' A' ' 15' ' ' ALA . 21.2 tp -106.06 -13.02 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -107.87 -45.17 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.0 p -106.17 -9.74 16.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 t30 54.76 46.9 23.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.7 ' O ' HG13 ' A' ' 35' ' ' VAL . 14.0 tttp -99.42 140.02 34.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -50.08 107.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 33' ' ' LYS . 33.1 m -111.17 -26.11 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.65 -110.83 0.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 38' ' ' THR . 7.2 p -88.14 -44.49 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.476 ' N ' HG13 ' A' ' 37' ' ' VAL . 59.5 p -50.06 -24.86 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.426 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -40.46 159.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.486 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -121.83 87.81 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.915 0.388 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -43.6 154.93 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.9 t -129.18 166.2 19.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -51.3 -34.12 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.7 p -69.97 -22.01 63.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.39 -29.18 11.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.533 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.454 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.5 m -61.82 165.12 5.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.966 0.412 . . . . 0.0 110.832 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.6 m -112.17 139.21 47.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.498 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 9.8 m-85 -132.43 177.18 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.7 p -100.39 172.43 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -55.4 -12.25 4.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 m -93.62 -49.76 5.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 111.114 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -103.01 35.26 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -75.85 -37.26 59.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -70.14 151.9 95.86 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.688 0.756 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.577 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.79 -40.4 5.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -67.7 -23.77 65.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.7 p -77.58 -34.3 53.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 6.6 p-80 -114.0 175.81 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -87.71 85.58 7.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.8 96.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -59.03 -49.95 75.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -47.95 132.04 15.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -73.27 121.19 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -71.79 141.54 49.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 66' ' ' GLY . 34.1 mttm -107.11 82.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' LYS . . . 34.76 56.66 0.8 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.2 p -124.26 131.85 72.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.332 . . . . 0.0 111.173 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 51.04 41.39 27.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.5 m -112.45 148.88 33.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 52.93 -169.64 0.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' SER . 53.5 Cg_endo -69.73 113.56 3.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 71' ' ' PRO . 16.5 m -38.0 -51.84 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.8 m -106.26 94.2 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.471 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 m -140.46 148.06 40.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.894 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.0 p -98.05 -33.22 11.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.02 -177.4 21.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 p -155.18 118.06 4.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -104.61 83.33 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.26 -178.96 15.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.533 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.6 m -155.02 133.62 11.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 111.191 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.18 -62.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.41 178.56 19.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 132.27 98.32 0.71 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.03 89.4 6.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.837 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.6 p -137.57 136.0 37.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.48 99.44 5.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.072 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.561 ' HB1' ' HA ' ' A' ' 46' ' ' SER . . . -115.83 68.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' N ' ' CD ' ' A' ' 17' ' ' PRO . . . 37.38 50.61 1.91 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 16' ' ' ALA . 53.5 Cg_endo -69.76 110.63 2.6 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.701 2.268 . . . . 0.0 112.325 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 16' ' ' ALA . 6.6 mp -76.01 -21.86 56.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.72 160.99 74.58 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.577 0.703 . . . . 0.0 110.856 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.4 ' C ' ' H ' ' A' ' 22' ' ' LYS . 54.2 Cg_endo -69.73 170.17 17.18 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 9.27 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.746 2.297 . . . . 0.0 112.339 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.53 ' O ' ' C ' ' A' ' 23' ' ' SER . 25.6 tptt -47.61 166.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.53 ' C ' ' O ' ' A' ' 22' ' ' LYS . 77.4 p -27.11 117.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 23' ' ' SER . 27.8 m -36.7 150.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.21 173.81 3.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.681 HG22 HG23 ' A' ' 35' ' ' VAL . 5.5 m -155.21 124.56 6.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.539 ' HA ' HG22 ' A' ' 35' ' ' VAL . 64.3 mtt-85 -146.93 169.08 19.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -55.8 168.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.525 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 26.7 tp -103.11 -13.86 16.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -110.7 -44.64 3.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.6 p -103.08 -5.1 23.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.3 t30 47.57 44.31 16.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' O ' HG13 ' A' ' 35' ' ' VAL . 16.2 ttmm -97.69 144.05 27.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HD3' ' CZ ' ' A' ' 27' ' ' ARG . 10.4 tptp -54.34 106.21 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.681 HG23 HG22 ' A' ' 26' ' ' THR . 16.3 m -110.34 -20.85 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.61 -116.47 0.66 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 38' ' ' THR . 7.3 p -84.77 -45.09 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.833 0.349 . . . . 0.0 111.085 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.482 ' N ' HG13 ' A' ' 37' ' ' VAL . 69.9 p -48.8 -28.28 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.496 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -39.08 159.78 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.433 ' CB ' ' HB2' ' A' ' 53' ' ' ARG . 16.6 m-85 -116.78 113.94 23.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -65.36 147.46 53.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.8 t -122.31 162.86 20.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.0 mtt-85 -53.75 -28.18 32.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.9 p -75.52 -20.11 58.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.18 -33.52 6.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.561 ' HA ' ' HB1' ' A' ' 15' ' ' ALA . 4.4 m -59.88 163.99 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.407 . . . . 0.0 110.875 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.408 HG22 HG21 ' A' ' 35' ' ' VAL . 33.5 m -108.54 145.98 33.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 15.3 m-85 -138.2 178.19 7.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' ARG . 20.9 p -103.57 166.37 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.432 ' HA2' ' CE1' ' A' ' 40' ' ' PHE . . . -47.17 -26.73 3.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.3 m -78.82 -49.9 12.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.127 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -105.38 32.63 4.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . 18.2 ptt85 -74.69 -36.58 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -73.75 149.56 88.15 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.692 0.758 . . . . 0.0 110.95 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.413 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.6 Cg_endo -69.69 -35.44 12.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.325 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.43 -32.32 71.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -74.56 -32.02 62.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 6.4 p-80 -119.78 122.1 40.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -46.36 96.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.5 t -75.51 115.39 15.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -64.83 -42.94 94.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.478 ' CE2' ' O ' ' A' ' 63' ' ' ASP . 54.7 t80 -51.46 136.65 25.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.478 ' O ' ' CE2' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -61.01 142.38 56.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -114.16 -50.19 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -130.84 83.29 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 38.5 43.29 1.52 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.509 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.5 p -122.29 142.06 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 111.148 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -128.81 100.87 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.0 m 42.29 42.41 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.402 ' HA2' ' HD2' ' A' ' 71' ' ' PRO . . . -107.08 92.23 0.76 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.402 ' HD2' ' HA2' ' A' ' 70' ' ' GLY . 53.8 Cg_endo -69.75 124.32 10.97 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.1 m -77.45 128.22 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.2 t -131.62 102.93 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.504 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -79.8 82.58 5.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -54.25 94.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.72 154.73 31.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -51.11 97.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.829 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 p -122.48 42.89 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -155.6 117.49 0.79 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.8 t -35.32 109.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 111.147 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -92.33 127.14 37.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.28 -178.02 19.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.47 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.95 130.2 1.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -93.96 154.83 17.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.6 m -79.96 104.47 10.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.61 173.71 10.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' ALA . . . -97.42 172.57 7.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' ALA . . . -34.04 110.58 0.38 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.497 0.665 . . . . 0.0 111.137 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 177.39 5.62 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.301 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 mp 57.0 41.79 27.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -89.23 145.75 34.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.599 0.714 . . . . 0.0 110.858 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 164.3 35.09 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.724 2.282 . . . . 0.0 112.342 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -21.85 32.59 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.682 2.255 . . . . 0.0 112.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.445 ' O ' HG23 ' A' ' 24' ' ' THR . 0.3 OUTLIER -61.52 179.09 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.8 p -47.4 127.19 10.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 22' ' ' LYS . 29.2 p -142.8 109.28 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.5 -175.12 2.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.553 HG22 ' CG2' ' A' ' 35' ' ' VAL . 20.2 m -69.21 125.83 27.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -149.76 169.64 20.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.8 t -60.21 168.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.703 HD22 ' CB ' ' A' ' 46' ' ' SER . 32.0 tp -104.67 -11.27 16.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.3 m -111.98 -42.11 3.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.3 p -107.93 -8.25 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 52.5 47.57 24.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.643 ' O ' HG13 ' A' ' 35' ' ' VAL . 66.7 tttt -101.35 135.23 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -49.69 103.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.643 HG13 ' O ' ' A' ' 33' ' ' LYS . 34.6 m -102.55 -25.18 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.51 -125.67 1.67 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -80.26 -24.62 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 111.113 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.3 p -84.43 27.3 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.445 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -94.16 -171.29 38.32 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.493 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 3.1 m-85 -143.85 109.06 5.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.929 0.395 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -62.26 167.29 4.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.9 t -141.58 163.97 31.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -51.63 -32.42 29.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.75 -23.17 63.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.61 -25.15 26.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.703 ' CB ' HD22 ' A' ' 29' ' ' LEU . 10.6 m -68.31 167.1 15.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.923 0.392 . . . . 0.0 110.886 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.574 HG22 HG21 ' A' ' 35' ' ' VAL . 8.2 m -105.99 141.02 38.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 48' ' ' PHE . 8.0 m-85 -134.25 172.09 13.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.3 p -96.62 168.14 10.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.493 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -51.69 -17.54 3.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.533 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.4 m -87.15 -49.21 7.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.807 0.337 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -104.2 32.59 3.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -74.96 -37.94 61.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -78.72 151.42 76.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.672 0.749 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 54.0 Cg_endo -69.78 -41.77 3.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.383 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -56.43 -33.28 65.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 m -75.97 -31.33 58.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 14.7 p-80 -124.83 113.79 18.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -45.96 90.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.477 ' N ' ' O ' ' A' ' 58' ' ' HIS . 6.9 t -62.5 124.08 20.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -77.04 -36.43 56.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.3 145.36 22.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -77.06 116.02 17.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -67.51 -176.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -116.86 160.43 20.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -40.15 -36.96 0.97 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.482 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.6 m -38.18 -36.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 111.111 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -172.61 113.75 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.063 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.6 t -92.67 79.91 4.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 59.94 137.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 126.54 13.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.643 2.229 . . . . 0.0 112.343 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 71.8 p -64.3 84.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 p -140.18 160.42 40.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.485 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 p -173.75 147.64 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.822 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -159.7 166.72 29.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.75 93.87 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -121.97 157.84 30.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.5 p -114.95 168.44 9.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.71 62.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -92.31 85.48 5.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.769 0.318 . . . . 0.0 111.087 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.34 105.74 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.93 -79.39 0.43 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.64 -48.59 22.04 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.3 t70 70.14 41.94 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.881 0.372 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.1 m -89.16 82.52 6.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.19 158.67 36.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 108.58 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -159.08 105.29 1.55 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.589 0.709 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.474 ' O ' ' N ' ' A' ' 19' ' ' ASP . 53.9 Cg_endo -69.77 179.04 3.98 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' PRO . 1.2 pt? -35.76 -31.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 17' ' ' PRO . 3.1 p-10 -114.47 123.59 32.07 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.559 0.695 . . . . 0.0 110.843 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 114.82 3.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 1.34 4.52 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt 53.17 41.5 32.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 t -143.37 148.69 36.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -107.53 41.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.46 153.65 51.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.623 HG22 ' CG2' ' A' ' 35' ' ' VAL . 7.0 m -96.65 121.03 38.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.2 mtt85 -146.08 173.12 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -63.11 168.1 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.489 HD22 ' CB ' ' A' ' 46' ' ' SER . 15.9 tp -105.81 -12.15 15.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -110.46 -39.92 4.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 p -110.12 -9.78 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 53.22 47.59 24.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.573 ' O ' HG13 ' A' ' 35' ' ' VAL . 77.0 tttt -100.81 141.44 33.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -54.08 104.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.623 ' CG2' HG22 ' A' ' 26' ' ' THR . 34.1 m -104.5 -27.84 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 40.66 -134.87 2.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 p -74.75 -14.17 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 111.097 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.9 p -95.51 30.21 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.445 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -101.58 177.73 27.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.468 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 2.6 m-85 -126.44 107.02 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -65.59 156.74 31.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.4 t -126.11 168.03 14.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -56.4 -27.24 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.7 p -79.69 1.96 24.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.15 -39.47 3.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.534 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.489 ' CB ' HD22 ' A' ' 29' ' ' LEU . 7.1 m -51.65 166.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.936 0.398 . . . . 0.0 110.86 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.434 HG22 HG21 ' A' ' 35' ' ' VAL . 24.2 m -116.79 138.1 51.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 48' ' ' PHE . 2.9 m-85 -127.97 175.47 8.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.4 p -94.5 -175.97 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.468 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -76.34 11.51 12.48 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 65.7 m -117.89 -23.57 7.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.172 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -119.64 -5.28 10.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HD2' ' CD2' ' A' ' 40' ' ' PHE . 0.3 OUTLIER -41.68 -37.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -70.1 143.86 91.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.689 0.757 . . . . 0.0 110.922 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 58' ' ' HIS . 54.2 Cg_endo -69.74 -39.9 5.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -56.69 -34.33 67.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 t -74.43 -30.01 61.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.561 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.5 p-80 -128.35 113.8 16.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -47.74 93.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.542 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 3.6 t -58.1 118.7 5.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -69.68 -45.73 67.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -54.28 126.48 23.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -56.68 121.85 10.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 25.4 m-85 -75.86 171.91 13.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 66' ' ' GLY . 31.3 mmtp -109.55 79.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' LYS . . . 34.33 55.14 0.75 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 67' ' ' VAL . 12.6 p -125.39 120.88 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 111.133 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -97.89 172.35 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.5 t -67.89 -49.98 58.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.12 -151.77 18.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -25.7 28.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.667 2.245 . . . . 0.0 112.307 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.8 t -50.27 136.33 20.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 m -158.48 153.56 25.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.476 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -140.05 151.71 45.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -153.32 147.41 25.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.49 -177.21 24.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 m -158.54 147.29 18.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -155.63 140.99 17.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.44 106.16 0.64 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.5 p -103.41 40.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 111.183 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -84.91 135.37 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.22 119.82 0.95 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.465 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -42.62 120.56 2.53 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.535 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.27 -53.65 18.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.471 ' HG ' ' HG1' ' A' ' 26' ' ' THR . 3.0 t -109.48 84.65 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.59 163.51 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.11 28.42 7.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.57 112.63 0.27 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.526 0.679 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 78.91 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.988 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -134.98 3.38 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.8 ' N ' HD13 ' A' ' 18' ' ' LEU . 7.4 p-10 -175.96 149.02 0.98 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.693 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 158.75 55.88 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 79.21 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.64 2.227 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -114.01 -47.68 2.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' THR . 16.8 m -126.61 -56.35 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 24' ' ' THR . 9.0 t -35.52 120.5 0.57 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.121 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.57 159.36 15.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.57 HG22 ' CG2' ' A' ' 35' ' ' VAL . 18.7 m -85.43 126.91 34.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -156.1 168.48 27.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.4 ' HB3' ' N ' ' A' ' 32' ' ' ASN . 8.0 t -57.41 167.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.585 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 28.0 tp -105.44 -9.5 17.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -111.01 -45.7 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 p -107.94 -7.68 16.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.4 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 51.8 t30 53.24 49.44 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.685 ' O ' HG13 ' A' ' 35' ' ' VAL . 10.5 ttpp -98.09 135.42 39.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -49.31 99.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 33' ' ' LYS . 34.5 m -100.84 -25.47 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.3 -114.61 0.63 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.519 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 p -92.98 -21.02 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.5 p -84.56 28.49 0.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.404 ' C ' ' CD1' ' A' ' 40' ' ' PHE . . . -94.08 -169.62 37.98 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.451 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.432 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 8.2 m-85 -144.69 107.47 4.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -62.09 151.06 36.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.8 t -130.93 164.97 24.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -52.17 -26.28 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.0 p -79.6 12.44 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.83 29.12 58.26 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.41 ' CB ' HD22 ' A' ' 29' ' ' LEU . 2.6 m -116.28 165.72 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.56 HG22 HG21 ' A' ' 35' ' ' VAL . 8.8 m -112.79 124.72 53.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.099 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 4.4 m-85 -122.06 179.66 4.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.0 p -99.64 161.13 13.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.432 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -44.44 -21.55 0.28 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.1 m -83.62 -52.93 6.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.1 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -100.62 32.19 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.401 ' HA ' ' HB2' ' A' ' 48' ' ' PHE . 8.5 ptm180 -73.86 -36.62 64.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -75.97 149.45 82.71 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.692 0.758 . . . . 0.0 110.946 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.574 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.6 Cg_endo -69.74 -35.52 12.55 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.718 2.279 . . . . 0.0 112.312 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.5 pm0 -72.08 -26.1 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 m -78.95 -32.74 45.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.574 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 4.6 p-80 -113.59 171.84 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -86.21 88.69 7.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.544 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 3.3 t -70.24 96.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -56.91 -46.99 81.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -44.34 138.37 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.28 119.74 14.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 15.9 m-85 -80.7 -54.79 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' GLY . 15.8 mmtt -130.36 81.32 2.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' LYS . . . 33.3 59.04 0.51 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.2 p -152.96 142.15 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 0.0 111.14 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.44 134.28 32.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 70' ' ' GLY . 5.6 m -84.9 92.71 8.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' SER . . . 34.03 68.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.506 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.89 29.44 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.335 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.95 151.69 23.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 t -64.03 -62.51 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.459 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 p -136.44 149.38 48.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 t -162.15 150.71 15.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.35 -161.86 10.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -138.83 139.98 38.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.822 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 m -82.44 177.34 8.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.07 -177.0 40.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.3 p -114.46 160.54 19.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.77 0.319 . . . . 0.0 111.111 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -44.31 -61.69 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.24 157.97 23.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.563 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.39 39.77 1.73 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -40.39 -54.51 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.328 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -81.96 123.11 28.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.37 108.71 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.58 ' HB1' HD13 ' A' ' 29' ' ' LEU . . . -103.22 78.71 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HB3' ' HB3' ' A' ' 20' ' ' PRO . . . -174.86 143.54 0.8 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.531 0.681 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 178.39 4.58 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.295 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -39.4 142.69 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 20.5 t0 59.01 55.02 5.22 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.606 0.717 . . . . 0.0 110.856 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.504 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.73 154.21 68.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.252 . . . . 0.0 112.326 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -165.59 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.728 2.285 . . . . 0.0 112.365 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -84.98 49.39 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.3 p -85.0 91.08 7.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 t -93.32 -19.45 21.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.191 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.36 165.7 10.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.817 HG22 HG23 ' A' ' 35' ' ' VAL . 16.3 m -81.26 115.41 20.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.595 ' HA ' HG22 ' A' ' 35' ' ' VAL . 62.9 mtt180 -144.78 159.73 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.3 t -45.51 169.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.58 HD13 ' HB1' ' A' ' 15' ' ' ALA . 21.9 tp -105.23 -16.55 14.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.3 m -108.38 -40.57 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 p -108.69 -1.46 19.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.9 m120 44.01 41.43 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.568 ' O ' HG13 ' A' ' 35' ' ' VAL . 77.1 tttt -92.25 141.59 28.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -50.73 105.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.817 HG23 HG22 ' A' ' 26' ' ' THR . 23.2 m -109.76 -14.91 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.585 ' O ' HG21 ' A' ' 26' ' ' THR . . . 35.12 -113.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.7 p -92.59 -31.19 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 0.0 111.115 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.3 p -60.25 -21.15 61.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.497 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -44.92 167.04 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -127.71 107.96 10.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -57.12 145.16 31.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.2 t -124.26 164.72 18.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -50.76 -26.92 6.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.9 p -81.69 13.76 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.16 25.04 56.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 m -109.77 167.0 10.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.95 0.405 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.6 m -112.19 128.7 56.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 12.0 m-85 -125.77 176.67 6.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.4 p -100.23 161.58 13.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.01 -21.56 0.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.6 m -82.89 -50.57 8.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -103.77 31.22 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -76.35 -30.65 57.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -85.55 151.56 56.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.72 0.772 . . . . 0.0 110.913 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.431 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 54.5 Cg_endo -69.72 -49.48 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.686 2.257 . . . . 0.0 112.391 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -47.16 -34.32 6.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -77.36 -30.32 53.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.551 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.0 p-80 -127.78 114.99 17.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -49.5 92.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.541 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 5.2 t -60.4 112.49 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -61.57 -52.47 64.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -47.96 136.46 11.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -62.85 129.03 38.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.541 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 20.1 m-85 -80.54 171.37 15.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -50.58 67.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.09 42.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 67' ' ' VAL . 11.0 p -118.51 35.91 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.383 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.96 91.17 3.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.4 p -95.51 127.92 41.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -130.9 75.42 0.42 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -26.68 27.2 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.751 2.3 . . . . 0.0 112.323 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.7 p -123.53 153.91 39.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.8 m -59.91 160.56 7.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.514 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.682 HG22 HG23 ' A' ' 35' ' ' VAL . 3.1 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.785 0.326 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -140.2 171.01 14.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.587 ' CB ' ' HG ' ' A' ' 31' ' ' CYS . 8.3 t -60.25 166.61 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.503 HD22 ' CB ' ' A' ' 46' ' ' SER . 64.9 tp -101.13 -10.55 20.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -116.89 -41.75 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.587 ' HG ' ' CB ' ' A' ' 28' ' ' CYS . 15.4 p -106.18 2.7 27.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.1 m120 40.18 38.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.426 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 78.0 tttt -88.99 144.15 26.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -59.37 101.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.682 HG23 HG22 ' A' ' 26' ' ' THR . 30.2 m -103.1 -19.31 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.632 ' O ' HG21 ' A' ' 26' ' ' THR . . . 42.08 -115.76 0.94 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.535 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.53 HG13 ' N ' ' A' ' 38' ' ' THR . 12.5 p -87.71 -45.99 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.53 ' N ' HG13 ' A' ' 37' ' ' VAL . 68.0 p -47.15 -28.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.438 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -37.19 156.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.471 ' CE1' ' HA2' ' A' ' 50' ' ' GLY . 36.0 m-85 -113.93 102.92 10.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.946 0.403 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -55.82 148.13 17.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.1 t -123.04 167.05 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -57.11 -25.74 59.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.2 p -80.48 -11.35 59.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.49 -38.04 3.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.503 ' CB ' HD22 ' A' ' 29' ' ' LEU . 18.4 m -50.92 172.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.93 0.395 . . . . 0.0 110.857 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 m -124.16 128.86 49.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.472 ' CE2' ' CD2' ' A' ' 58' ' ' HIS . 2.9 m-85 -120.58 173.79 6.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.8 p -94.42 -179.86 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.471 ' HA2' ' CE1' ' A' ' 40' ' ' PHE . . . -67.12 -1.26 12.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.484 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.0 m -104.84 -34.36 8.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 0.0 111.133 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -116.32 25.89 10.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.435 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 11.7 ptt85 -68.47 -35.22 77.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.435 ' CD1' ' HG2' ' A' ' 53' ' ' ARG . 1.4 m-85 -74.85 150.93 86.44 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.727 0.775 . . . . 0.0 110.902 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.22 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -50.6 -30.78 14.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 m -78.31 -29.72 47.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.542 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 11.8 p-80 -129.24 115.71 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -47.73 93.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.3 t -60.11 114.85 3.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -64.35 -47.38 79.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -57.8 118.03 4.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.637 HG22 HG23 ' A' ' 35' ' ' VAL . 20.5 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.805 0.336 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.421 ' NH1' ' HD3' ' A' ' 34' ' ' LYS . 79.2 mtt-85 -138.06 169.62 17.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -62.49 168.4 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 27.7 tp -105.04 -10.1 17.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -109.87 -46.86 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.0 p -105.66 -10.53 16.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 57.04 47.14 18.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.536 ' O ' HG13 ' A' ' 35' ' ' VAL . 8.7 ttpt -98.59 137.56 37.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.421 ' HD3' ' NH1' ' A' ' 27' ' ' ARG . 15.1 tptp -54.32 96.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.637 HG23 HG22 ' A' ' 26' ' ' THR . 35.4 m -91.69 -30.55 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.71 -130.14 6.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 p -74.35 -27.93 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.377 . . . . 0.0 111.119 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.9 p -83.93 29.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.177 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.47 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -97.16 178.11 32.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.506 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.494 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 3.9 m-85 -133.59 106.74 7.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -63.88 165.96 7.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.494 ' HG ' ' CE1' ' A' ' 58' ' ' HIS . 32.3 t -134.33 165.38 25.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -52.9 -32.16 43.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.1 p -72.78 -20.23 61.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.68 -32.57 7.0 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.53 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.439 ' CB ' HD22 ' A' ' 29' ' ' LEU . 13.9 m -57.0 166.04 1.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.928 0.394 . . . . 0.0 110.893 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.447 HG22 HG21 ' A' ' 35' ' ' VAL . 5.7 m -115.79 129.98 56.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 4.4 m-85 -123.35 175.63 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.8 p -98.98 169.21 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.494 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -51.73 -19.15 4.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.1 m -85.91 -50.26 7.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -103.58 33.47 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 10.0 ptt180 -75.95 -34.38 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.408 ' CD1' ' HG2' ' A' ' 53' ' ' ARG . 3.2 m-85 -75.94 152.96 84.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.701 0.763 . . . . 0.0 110.915 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.432 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.77 -37.04 9.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.2 -35.08 76.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -74.85 -30.93 61.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.539 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.8 p-80 -125.14 114.85 19.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -45.4 96.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.6 t -72.93 104.92 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -41.55 98.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -46.83 132.24 11.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.6 HG22 ' CG2' ' A' ' 35' ' ' VAL . 24.0 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.831 0.348 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -152.15 163.21 39.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -51.62 168.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.475 HD22 ' CB ' ' A' ' 46' ' ' SER . 39.8 tp -104.61 -11.35 16.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -111.99 -42.85 3.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -109.98 0.39 18.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.0 m120 42.89 47.75 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.783 ' O ' HG13 ' A' ' 35' ' ' VAL . 23.8 tttp -98.57 131.61 44.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -42.75 105.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 33' ' ' LYS . 34.0 m -109.13 -20.87 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.95 -129.3 4.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.59 -36.68 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.938 0.399 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.6 p -57.35 -27.02 61.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.183 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.489 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -42.13 161.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.453 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 5.2 m-85 -114.21 116.92 29.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.95 0.405 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -70.04 150.11 46.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.0 t -120.7 163.85 17.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -53.21 -28.13 25.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.8 p -75.34 -21.08 58.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.7 -32.43 7.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.475 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.6 m -60.11 165.43 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.963 0.411 . . . . 0.0 110.831 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.488 ' CG2' HG21 ' A' ' 35' ' ' VAL . 17.7 m -108.1 148.73 29.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 47' ' ' THR . 8.8 m-85 -142.06 174.3 10.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.3 p -100.51 163.42 12.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.453 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -46.2 -22.84 1.01 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.435 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.8 m -82.39 -47.92 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.342 . . . . 0.0 111.137 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -106.58 32.68 4.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -75.63 -37.4 59.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -75.08 152.37 86.33 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 110.967 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.464 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.9 Cg_endo -69.75 -40.15 5.68 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.706 2.271 . . . . 0.0 112.328 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -60.78 -30.22 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.0 p -78.28 -31.18 48.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.7 p-80 -124.0 116.5 22.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -47.26 93.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' HIS . 4.7 t -62.45 126.32 26.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -76.88 -45.39 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -48.82 135.97 14.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 t70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.563 HG22 ' CG2' ' A' ' 35' ' ' VAL . 8.4 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.759 0.314 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -145.65 173.38 12.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.496 ' CB ' ' HG ' ' A' ' 31' ' ' CYS . 9.9 t -66.4 167.74 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.606 HD22 ' CB ' ' A' ' 46' ' ' SER . 40.4 tp -102.79 -10.84 18.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -114.3 -41.58 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.496 ' HG ' ' CB ' ' A' ' 28' ' ' CYS . 23.4 p -105.93 -7.97 17.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 m120 53.24 36.84 23.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.483 ' O ' HG13 ' A' ' 35' ' ' VAL . 22.0 tttp -92.42 139.16 30.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -56.31 105.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.563 ' CG2' HG22 ' A' ' 26' ' ' THR . 34.7 m -101.29 -25.85 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 40.94 -127.81 3.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -77.98 -24.98 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.8 p -85.26 28.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.468 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -96.72 177.61 33.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.538 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 2.9 m-85 -132.15 106.87 8.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 110.846 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -62.26 167.17 4.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.6 t -137.45 163.06 32.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -52.17 -31.49 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.9 p -70.05 -23.25 63.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.0 -27.93 13.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.606 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.3 m -65.63 167.46 9.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.981 0.42 . . . . 0.0 110.862 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.496 HG22 HG21 ' A' ' 35' ' ' VAL . 6.6 m -110.58 141.63 43.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.51 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 6.0 m-85 -134.18 173.82 11.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.8 p -97.41 171.64 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.538 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -55.24 -16.53 9.37 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.7 m -87.42 -45.49 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 111.141 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -109.51 31.59 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -73.55 -39.91 64.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -75.85 152.12 84.66 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.74 . . . . 0.0 110.92 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.447 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.4 Cg_endo -69.81 -49.14 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -48.89 -33.2 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -76.72 -31.12 56.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 11.0 p-80 -126.19 115.2 19.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -46.69 94.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 58' ' ' HIS . 4.5 t -64.07 117.52 7.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -68.51 -44.0 75.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -52.38 132.54 34.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.589 HG22 ' CG2' ' A' ' 35' ' ' VAL . 41.3 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.3 mtt85 -148.53 170.54 17.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -61.14 169.11 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 14.3 tp -106.19 -11.73 15.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 m -108.63 -46.01 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.1 p -106.67 -9.52 16.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.0 t30 55.71 48.5 18.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.644 ' O ' HG13 ' A' ' 35' ' ' VAL . 23.9 tttp -100.72 133.98 44.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -48.37 102.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 33' ' ' LYS . 34.3 m -100.91 -28.89 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.85 -132.47 6.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.9 p -76.3 -24.96 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.5 p -87.79 33.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.47 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -97.1 -169.24 33.38 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 5.4 m-85 -139.79 110.61 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.882 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -70.25 160.58 31.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.7 t -131.1 165.01 24.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -52.75 -31.71 39.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 p -72.24 -20.8 61.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.62 -32.29 7.26 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.455 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.5 m -58.71 164.23 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.932 0.396 . . . . 0.0 110.894 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.512 HG22 HG21 ' A' ' 35' ' ' VAL . 19.9 m -111.38 140.18 46.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 3.0 m-85 -132.77 178.32 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.8 p -95.86 -174.65 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.443 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -79.82 24.31 3.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.6 m -129.03 -29.84 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.82 0.343 . . . . 0.0 111.177 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 53' ' ' ARG . 45.7 m80 -114.25 -8.12 12.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.823 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 52' ' ' HIS . 3.8 ptm180 -36.67 -34.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 52' ' ' HIS . 8.2 m-85 -72.77 148.88 90.1 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.734 0.778 . . . . 0.0 110.91 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.429 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.78 -38.72 7.37 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.33 -34.66 74.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 t -74.02 -32.05 63.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.531 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 15.9 p-80 -124.8 114.75 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -47.55 94.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.2 t -63.52 133.24 53.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -86.46 -39.69 16.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -59.16 113.9 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.586 HG22 ' CG2' ' A' ' 35' ' ' VAL . 2.9 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.819 0.342 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -142.15 169.56 17.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.443 ' CB ' ' HG ' ' A' ' 31' ' ' CYS . 8.6 t -58.21 168.5 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 52.5 tp -101.98 -11.9 18.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 m -116.69 -39.13 3.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.443 ' HG ' ' CB ' ' A' ' 28' ' ' CYS . 16.7 p -108.71 0.29 20.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 41.66 44.05 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.61 ' O ' HG13 ' A' ' 35' ' ' VAL . 41.5 tttm -95.57 136.99 35.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -52.33 98.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 33' ' ' LYS . 32.6 m -95.51 -27.55 4.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' VAL . . . 37.05 -135.52 0.74 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.34 -11.25 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.931 0.396 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -99.31 30.85 3.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.477 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -99.42 -175.23 31.33 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.513 ' N ' ' CD1' ' A' ' 40' ' ' PHE . 1.4 m-85 -134.49 105.77 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.399 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -62.75 154.73 28.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.1 t -132.33 166.81 21.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -55.81 -30.66 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -74.53 -0.95 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.63 -35.54 3.04 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.566 ' CB ' HD22 ' A' ' 29' ' ' LEU . 4.7 m -56.08 165.45 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.545 HG22 HG21 ' A' ' 35' ' ' VAL . 22.5 m -115.4 133.63 55.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 2.2 m-85 -126.28 173.66 9.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.1 p -92.62 -174.33 3.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.411 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -79.63 19.75 5.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 83.7 m -124.62 -25.23 4.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.114 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -120.52 -1.54 10.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -42.85 -36.47 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.45 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 5.2 m-85 -68.21 145.72 97.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.692 0.758 . . . . 0.0 110.909 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.585 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.81 -31.54 20.1 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.626 2.218 . . . . 0.0 112.36 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -76.15 -23.47 54.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -83.79 -27.69 28.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.585 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 6.8 p-80 -119.58 167.16 12.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -83.6 87.16 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.6 t -73.98 84.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -52.27 -50.59 61.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -39.15 126.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.696 HG22 HG23 ' A' ' 35' ' ' VAL . 13.9 m . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.792 0.33 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -140.92 168.12 20.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -53.96 168.06 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 46' ' ' SER . 51.3 tp -103.92 -10.63 18.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -114.32 -39.33 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.0 p -112.19 1.52 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 m120 41.07 51.64 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.645 ' O ' HG13 ' A' ' 35' ' ' VAL . 24.9 tttm -101.87 139.09 37.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -50.29 101.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.696 HG23 HG22 ' A' ' 26' ' ' THR . 26.8 m -104.45 -20.46 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.468 ' O ' HG21 ' A' ' 26' ' ' THR . . . 40.42 -123.24 2.21 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.8 p -85.79 -33.07 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.377 . . . . 0.0 111.12 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -61.19 -18.18 56.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.469 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -47.28 166.02 0.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.4 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 15.8 m-85 -120.45 99.84 6.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.937 0.398 . . . . 0.0 110.919 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 3.4 tppp? -49.39 151.45 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 13.5 t -129.75 168.07 17.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -56.23 -29.42 60.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.9 p -77.45 0.8 21.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.52 -20.06 6.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.474 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.4 m -68.44 171.99 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.93 0.395 . . . . 0.0 110.897 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.428 HG22 HG21 ' A' ' 35' ' ' VAL . 10.4 m -118.07 128.46 54.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 48' ' ' PHE . 3.4 m-85 -121.51 175.67 6.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.4 p -98.22 171.9 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.4 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -54.92 -14.14 5.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.7 m -91.09 -50.08 6.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.849 0.357 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -101.85 30.4 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -70.33 -38.23 74.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.45 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 1.7 m-85 -71.61 148.58 92.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.672 0.749 . . . . 0.0 110.919 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.578 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.77 -40.62 5.09 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.341 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -67.98 -21.25 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 m -78.5 -32.82 48.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 17.3 p-80 -118.37 177.69 4.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -87.96 86.93 7.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.1 t -70.46 91.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -52.53 -51.49 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -44.69 146.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.5 t70 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.57 HG22 HG23 ' A' ' 35' ' ' VAL . 4.3 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.822 0.344 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -134.14 171.2 14.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -60.8 170.62 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.5 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 28.3 tp -101.38 -15.38 17.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 m -112.51 -43.44 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 p -105.45 2.24 28.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 m120 39.18 44.89 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.567 ' O ' HG13 ' A' ' 35' ' ' VAL . 14.7 tttp -94.51 135.33 36.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 tptm -52.13 96.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.57 HG23 HG22 ' A' ' 26' ' ' THR . 28.4 m -95.71 -25.34 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' VAL . . . 36.82 -128.31 1.09 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -72.21 -26.39 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 111.174 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.3 p -83.52 27.06 0.62 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.438 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -98.26 168.39 23.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 3.3 m-85 -125.24 104.94 8.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.13 164.04 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.7 t -133.22 164.65 26.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -52.97 -30.7 36.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.0 p -74.43 -20.32 60.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.3 -32.35 7.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 m -56.79 166.8 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.942 0.401 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -114.71 132.86 56.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 4.6 m-85 -125.86 172.84 9.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.3 p -98.06 170.86 8.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.449 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -52.72 -15.96 3.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.4 m -88.4 -53.46 4.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 111.15 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -100.66 34.92 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.417 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 9.6 ptt180 -76.61 -33.94 58.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.417 ' CE1' ' HG2' ' A' ' 53' ' ' ARG . 2.8 m-85 -77.08 151.71 81.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.696 0.76 . . . . 0.0 110.931 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.502 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.82 -42.88 2.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.246 . . . . 0.0 112.306 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.11 -32.51 66.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -76.35 -30.36 57.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.6 p-80 -125.24 114.12 18.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -45.62 94.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' HIS . 4.4 t -63.54 115.8 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -69.13 -45.11 70.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -52.06 126.41 18.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.767 HG22 HG23 ' A' ' 35' ' ' VAL . 3.0 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.826 0.346 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.731 ' HA ' HG22 ' A' ' 35' ' ' VAL . 70.2 mtt180 -156.15 168.39 27.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -55.62 167.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.495 HD22 ' CB ' ' A' ' 46' ' ' SER . 17.8 tp -106.39 -10.8 16.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -108.11 -46.32 3.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.5 p -105.76 -11.41 16.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 58.24 44.49 18.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -96.76 141.33 30.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -51.08 110.78 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.767 HG23 HG22 ' A' ' 26' ' ' THR . 8.8 m -117.21 -13.77 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 35' ' ' VAL . . . 31.71 -102.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.461 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 38' ' ' THR . 7.5 p -93.88 -45.07 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 111.1 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.485 ' N ' HG13 ' A' ' 37' ' ' VAL . 30.8 p -48.05 -22.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.495 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -43.01 158.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -124.71 108.14 11.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -57.6 151.54 16.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.6 t -130.32 165.28 22.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 -53.07 -26.4 15.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 7.6 p -81.06 10.15 5.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.97 31.05 74.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.495 ' CB ' HD22 ' A' ' 29' ' ' LEU . 5.0 m -116.77 166.57 11.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.865 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m -112.85 126.9 55.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.55 ' CE2' ' CD2' ' A' ' 58' ' ' HIS . 11.9 m-85 -123.63 178.3 5.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.4 p -101.01 161.85 13.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.74 -19.7 0.54 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.2 m -85.17 -47.52 10.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 111.148 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -106.72 31.63 5.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -73.67 -36.3 65.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.439 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 3.3 m-85 -72.63 146.87 88.95 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.676 0.75 . . . . 0.0 110.91 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -38.83 7.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.4 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 pm0 -68.2 -30.79 69.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.3 m -74.62 -33.19 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.55 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 9.9 p-80 -120.45 120.57 36.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 59' ' ' GLU . 4.7 mp0 -43.12 97.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.1 t -76.95 95.96 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -47.8 -41.07 22.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.4 ' CE2' ' O ' ' A' ' 63' ' ' ASP . 31.6 t80 -50.38 142.79 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.4 ' O ' ' CE2' ' A' ' 62' ' ' PHE . 6.7 m-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.439 HG22 ' CG2' ' A' ' 35' ' ' VAL . 8.4 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.789 0.328 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HG3' ' C ' ' A' ' 26' ' ' THR . 74.3 mtt-85 -150.1 163.26 38.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.8 t -51.03 168.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.508 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 23.3 tp -105.15 -12.76 15.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.4 m -107.09 -47.08 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.7 -12.58 16.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 58.46 47.32 13.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.685 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -100.48 141.65 33.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -51.85 101.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 33' ' ' LYS . 31.8 m -105.06 -21.78 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.32 -125.42 3.24 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 38' ' ' THR . 8.0 p -79.15 -45.55 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 111.104 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.496 ' N ' HG13 ' A' ' 37' ' ' VAL . 72.4 p -49.11 -32.43 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.486 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -38.32 156.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.403 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 8.5 m-85 -109.77 122.06 46.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.863 0.363 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tttm -72.55 150.26 43.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.8 t -121.99 164.65 17.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -53.06 -28.91 27.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 p -75.58 -20.43 58.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.17 -32.2 7.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.48 ' CB ' HD22 ' A' ' 29' ' ' LEU . 13.4 m -58.02 166.62 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.41 . . . . 0.0 110.845 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.468 HG22 HG21 ' A' ' 35' ' ' VAL . 7.5 m -110.45 139.76 45.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 14.9 m-85 -132.93 177.49 7.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.8 p -102.88 167.59 9.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -51.01 -19.02 3.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 m -86.2 -48.6 8.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.796 0.331 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -106.39 34.98 3.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -76.15 -38.65 56.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -72.66 153.09 91.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.719 0.771 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.459 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.3 Cg_endo -69.79 -36.2 11.15 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.685 2.256 . . . . 0.0 112.303 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -63.12 -36.43 83.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -70.67 -31.47 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.533 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 15.5 p-80 -124.96 114.14 18.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -45.86 92.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 58' ' ' HIS . 5.1 t -63.49 129.23 39.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -80.76 -42.52 21.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -49.36 141.93 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.508 HG22 ' CG2' ' A' ' 35' ' ' VAL . 5.7 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.741 0.305 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -149.36 168.19 24.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.479 ' CB ' ' HG ' ' A' ' 31' ' ' CYS . 8.9 t -58.07 167.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.408 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 21.5 tp -103.08 -11.82 17.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -112.74 -43.6 3.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.479 ' HG ' ' CB ' ' A' ' 28' ' ' CYS . 18.2 p -104.22 -6.06 21.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.5 t30 50.22 40.45 22.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.532 ' O ' HG13 ' A' ' 35' ' ' VAL . 18.0 ttmm -94.34 140.33 29.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.65 106.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.571 HG21 HG22 ' A' ' 47' ' ' THR . 33.8 m -106.21 -24.43 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.92 -117.2 0.81 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 p -86.44 -23.78 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.3 p -84.16 31.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -99.87 -176.76 30.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -138.52 112.49 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.923 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -65.74 158.35 27.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.1 t -136.37 164.87 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -51.33 -27.03 8.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 p -81.09 15.15 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.34 27.96 48.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -111.7 167.22 10.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 110.883 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.571 HG22 HG21 ' A' ' 35' ' ' VAL . 5.5 m -115.45 123.21 48.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.512 ' N ' ' CD1' ' A' ' 48' ' ' PHE . 1.6 m-85 -119.82 176.25 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.3 p -92.88 -176.3 4.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.19 19.95 6.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.0 m -126.15 -24.23 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 111.157 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -118.45 -6.93 10.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -39.57 -36.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -72.05 144.11 87.16 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.715 0.769 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 54.2 Cg_endo -69.75 -42.43 3.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.246 . . . . 0.0 112.364 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -54.14 -29.83 46.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.8 t -84.17 -27.63 27.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 6.7 p-80 -127.9 116.95 20.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.6 90.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' HIS . 8.2 t -59.53 110.22 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -61.23 -37.81 84.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -65.69 121.25 14.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.683 HG22 HG23 ' A' ' 35' ' ' VAL . 16.1 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.74 0.305 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -143.92 167.63 21.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.6 t -58.72 167.8 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.611 HD22 ' CB ' ' A' ' 46' ' ' SER . 46.1 tp -101.65 -10.31 20.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -115.68 -44.37 2.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.2 p -103.77 -2.15 26.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.6 m120 46.04 37.23 3.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 35' ' ' VAL . 20.5 ttmt -88.11 140.68 29.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -57.67 98.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.683 HG23 HG22 ' A' ' 26' ' ' THR . 27.6 m -95.25 -29.38 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 42.9 -131.3 5.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 p -73.89 -26.73 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.93 0.395 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.6 p -83.18 26.37 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.439 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -92.76 -174.41 41.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.479 ' N ' ' CD1' ' A' ' 40' ' ' PHE . 1.8 m-85 -143.31 109.01 5.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -64.24 164.2 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.5 t -134.26 164.64 26.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -51.66 -33.1 32.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -71.04 -22.14 62.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.63 -30.19 9.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.611 ' CB ' HD22 ' A' ' 29' ' ' LEU . 6.3 m -62.48 164.78 6.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.889 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.6 m -108.56 140.43 41.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.164 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 8.9 m-85 -132.98 173.81 11.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.9 p -99.86 166.73 10.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.83 -24.21 4.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.2 m -80.86 -48.25 12.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 111.169 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -106.34 31.72 4.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.434 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 9.7 ptt180 -75.45 -32.92 60.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.434 ' CD1' ' HG2' ' A' ' 53' ' ' ARG . 2.6 m-85 -78.25 150.88 77.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.679 0.752 . . . . 0.0 110.886 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.464 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.74 -41.45 4.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 57' ' ' SER . 4.4 pt-20 -59.03 -32.42 69.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 2.5 m -75.61 -31.32 59.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 13.4 p-80 -124.59 114.88 19.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 59' ' ' GLU . 24.6 mp0 -45.22 96.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.33 120.83 13.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -73.32 -45.82 53.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -57.13 132.2 52.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.0 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.604 HG22 ' CG2' ' A' ' 35' ' ' VAL . 11.1 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.794 0.331 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.4 mtt85 -146.49 173.08 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.9 t -65.92 167.76 9.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.461 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 46.2 tp -103.91 -10.01 18.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 m -112.33 -45.27 3.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.797 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.4 p -105.32 -9.17 17.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 51.5 t30 53.49 45.21 28.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.531 ' O ' HG13 ' A' ' 35' ' ' VAL . 25.9 tttp -96.7 139.34 32.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -55.6 97.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.604 ' CG2' HG22 ' A' ' 26' ' ' THR . 34.6 m -94.42 -29.45 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 42.05 -133.65 4.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.8 p -72.15 -24.73 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 111.151 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -87.0 29.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.491 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -98.9 178.24 30.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.486 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 6.6 m-85 -130.54 102.96 6.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 110.836 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.31 165.13 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.9 t -136.01 166.13 24.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -54.2 -30.84 51.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 p -79.14 7.85 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.1 -38.5 2.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.457 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.9 m -51.57 166.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 110.864 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.571 HG22 HG21 ' A' ' 35' ' ' VAL . 27.2 m -116.57 139.64 50.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.472 ' CE2' ' CD2' ' A' ' 58' ' ' HIS . 6.7 m-85 -130.21 172.49 11.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.4 p -97.54 170.95 8.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.486 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -53.26 -19.63 8.52 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.6 m -85.64 -48.85 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -104.45 32.6 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.2 ptt85 -73.87 -36.37 64.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -75.79 152.29 84.83 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.686 0.755 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.423 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.3 Cg_endo -69.73 -43.33 2.75 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -54.8 -34.89 63.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 t -73.75 -31.45 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.566 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 12.2 p-80 -126.13 113.15 16.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -45.69 96.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.9 t -63.92 125.7 25.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -79.47 -46.12 18.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.429 ' CE2' ' O ' ' A' ' 63' ' ' ASP . 33.0 t80 -52.25 125.13 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.429 ' O ' ' CE2' ' A' ' 62' ' ' PHE . 11.6 t0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.748 HG22 HG23 ' A' ' 35' ' ' VAL . 16.2 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.741 0.305 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -144.26 172.56 12.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -61.41 168.76 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.464 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 12.2 tp -106.23 -13.0 15.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -108.32 -44.59 4.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.7 p -107.3 -7.29 16.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.81 46.18 26.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.659 ' O ' HG13 ' A' ' 35' ' ' VAL . 44.2 tttt -97.07 137.25 36.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -50.17 105.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.748 HG23 HG22 ' A' ' 26' ' ' THR . 34.7 m -106.83 -19.6 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.573 ' O ' HG21 ' A' ' 26' ' ' THR . . . 41.2 -118.85 1.4 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.2 p -95.28 -21.23 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.941 0.4 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.7 p -84.72 28.57 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.437 ' C ' ' CD1' ' A' ' 40' ' ' PHE . . . -86.86 -157.94 31.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 27.7 m-85 -148.77 106.47 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER -65.7 155.39 36.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 48.8 t -134.92 165.83 24.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -51.03 -34.68 30.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.6 p -68.68 -22.35 64.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.83 -26.32 24.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -63.22 165.52 7.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.412 . . . . 0.0 110.839 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.513 HG22 HG21 ' A' ' 35' ' ' VAL . 13.3 m -109.93 134.52 52.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 5.5 m-85 -129.4 174.65 9.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.0 p -94.66 -177.98 4.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.85 3.55 9.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.426 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.5 m -109.66 -37.57 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 111.159 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -114.17 32.38 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.432 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 7.7 ptt85 -76.24 -35.8 58.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.459 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 3.5 m-85 -71.41 147.95 93.07 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.663 0.744 . . . . 0.0 110.915 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.573 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.77 -33.71 16.0 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.738 2.292 . . . . 0.0 112.332 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -74.21 -26.04 60.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 m -78.31 -31.34 48.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 7.9 p-80 -116.79 171.37 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -85.39 88.2 7.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.0 t -71.09 92.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' PHE . 82.7 mm-40 -54.96 -50.87 67.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' GLN . 5.9 t80 -35.8 126.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.529 HG22 ' CG2' ' A' ' 35' ' ' VAL . 5.7 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.781 0.324 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -152.2 168.37 25.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -55.91 168.96 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.498 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 21.2 tp -106.06 -13.02 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -107.87 -45.17 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.0 p -106.17 -9.74 16.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 t30 54.76 46.9 23.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.7 ' O ' HG13 ' A' ' 35' ' ' VAL . 14.0 tttp -99.42 140.02 34.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -50.08 107.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 33' ' ' LYS . 33.1 m -111.17 -26.11 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.65 -110.83 0.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 38' ' ' THR . 7.2 p -88.14 -44.49 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.476 ' N ' HG13 ' A' ' 37' ' ' VAL . 59.5 p -50.06 -24.86 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.426 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -40.46 159.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.486 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -121.83 87.81 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.915 0.388 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -43.6 154.93 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.9 t -129.18 166.2 19.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -51.3 -34.12 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.7 p -69.97 -22.01 63.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.39 -29.18 11.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.533 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.454 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.5 m -61.82 165.12 5.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.966 0.412 . . . . 0.0 110.832 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.6 m -112.17 139.21 47.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.498 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 9.8 m-85 -132.43 177.18 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.7 p -100.39 172.43 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -55.4 -12.25 4.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 m -93.62 -49.76 5.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 111.114 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -103.01 35.26 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -75.85 -37.26 59.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -70.14 151.9 95.86 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.688 0.756 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.577 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.79 -40.4 5.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -67.7 -23.77 65.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.7 p -77.58 -34.3 53.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 6.6 p-80 -114.0 175.81 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -87.71 85.58 7.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.8 96.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -59.03 -49.95 75.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -47.95 132.04 15.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 t0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.681 HG22 HG23 ' A' ' 35' ' ' VAL . 5.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.816 0.341 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.539 ' HA ' HG22 ' A' ' 35' ' ' VAL . 64.3 mtt-85 -146.93 169.08 19.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.401 ' CB ' ' HG ' ' A' ' 31' ' ' CYS . 9.0 t -55.8 168.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.525 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 26.7 tp -103.11 -13.86 16.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -110.7 -44.64 3.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.401 ' HG ' ' CB ' ' A' ' 28' ' ' CYS . 17.6 p -103.08 -5.1 23.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.3 t30 47.57 44.31 16.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' O ' HG13 ' A' ' 35' ' ' VAL . 16.2 ttmm -97.69 144.05 27.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HD3' ' CZ ' ' A' ' 27' ' ' ARG . 10.4 tptp -54.34 106.21 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.681 HG23 HG22 ' A' ' 26' ' ' THR . 16.3 m -110.34 -20.85 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.61 -116.47 0.66 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 38' ' ' THR . 7.3 p -84.77 -45.09 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.833 0.349 . . . . 0.0 111.085 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.482 ' N ' HG13 ' A' ' 37' ' ' VAL . 69.9 p -48.8 -28.28 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.496 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -39.08 159.78 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.433 ' CB ' ' HB2' ' A' ' 53' ' ' ARG . 16.6 m-85 -116.78 113.94 23.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -65.36 147.46 53.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.8 t -122.31 162.86 20.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.0 mtt-85 -53.75 -28.18 32.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.9 p -75.52 -20.11 58.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.18 -33.52 6.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.515 ' CB ' HD22 ' A' ' 29' ' ' LEU . 4.4 m -59.88 163.99 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.407 . . . . 0.0 110.875 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.408 HG22 HG21 ' A' ' 35' ' ' VAL . 33.5 m -108.54 145.98 33.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 15.3 m-85 -138.2 178.19 7.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' ARG . 20.9 p -103.57 166.37 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.432 ' HA2' ' CE1' ' A' ' 40' ' ' PHE . . . -47.17 -26.73 3.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.3 m -78.82 -49.9 12.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.127 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -105.38 32.63 4.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . 18.2 ptt85 -74.69 -36.58 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -73.75 149.56 88.15 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.692 0.758 . . . . 0.0 110.95 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.413 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.6 Cg_endo -69.69 -35.44 12.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.325 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.43 -32.32 71.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -74.56 -32.02 62.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 6.4 p-80 -119.78 122.1 40.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -46.36 96.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.5 t -75.51 115.39 15.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -64.83 -42.94 94.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.478 ' CE2' ' O ' ' A' ' 63' ' ' ASP . 54.7 t80 -51.46 136.65 25.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.478 ' O ' ' CE2' ' A' ' 62' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.553 HG22 ' CG2' ' A' ' 35' ' ' VAL . 20.2 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.812 0.339 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -149.76 169.64 20.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.8 t -60.21 168.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.703 HD22 ' CB ' ' A' ' 46' ' ' SER . 32.0 tp -104.67 -11.27 16.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.3 m -111.98 -42.11 3.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.3 p -107.93 -8.25 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 52.5 47.57 24.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.643 ' O ' HG13 ' A' ' 35' ' ' VAL . 66.7 tttt -101.35 135.23 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -49.69 103.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.643 HG13 ' O ' ' A' ' 33' ' ' LYS . 34.6 m -102.55 -25.18 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.51 -125.67 1.67 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -80.26 -24.62 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 111.113 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.3 p -84.43 27.3 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.445 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -94.16 -171.29 38.32 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.493 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 3.1 m-85 -143.85 109.06 5.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.929 0.395 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -62.26 167.29 4.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.9 t -141.58 163.97 31.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -51.63 -32.42 29.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.75 -23.17 63.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.61 -25.15 26.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.703 ' CB ' HD22 ' A' ' 29' ' ' LEU . 10.6 m -68.31 167.1 15.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.923 0.392 . . . . 0.0 110.886 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.574 HG22 HG21 ' A' ' 35' ' ' VAL . 8.2 m -105.99 141.02 38.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 48' ' ' PHE . 8.0 m-85 -134.25 172.09 13.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.3 p -96.62 168.14 10.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.493 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -51.69 -17.54 3.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.533 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.4 m -87.15 -49.21 7.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.807 0.337 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -104.2 32.59 3.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -74.96 -37.94 61.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -78.72 151.42 76.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.672 0.749 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 54.0 Cg_endo -69.78 -41.77 3.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.383 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -56.43 -33.28 65.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 m -75.97 -31.33 58.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 14.7 p-80 -124.83 113.79 18.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -45.96 90.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.477 ' N ' ' O ' ' A' ' 58' ' ' HIS . 6.9 t -62.5 124.08 20.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -77.04 -36.43 56.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.3 145.36 22.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.4 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.623 HG22 ' CG2' ' A' ' 35' ' ' VAL . 7.0 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.801 0.334 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.2 mtt85 -146.08 173.12 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -63.11 168.1 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.489 HD22 ' CB ' ' A' ' 46' ' ' SER . 15.9 tp -105.81 -12.15 15.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -110.46 -39.92 4.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 p -110.12 -9.78 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 53.22 47.59 24.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.573 ' O ' HG13 ' A' ' 35' ' ' VAL . 77.0 tttt -100.81 141.44 33.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -54.08 104.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.623 ' CG2' HG22 ' A' ' 26' ' ' THR . 34.1 m -104.5 -27.84 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 40.66 -134.87 2.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 p -74.75 -14.17 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 111.097 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.9 p -95.51 30.21 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.445 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -101.58 177.73 27.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.468 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 2.6 m-85 -126.44 107.02 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -65.59 156.74 31.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.4 t -126.11 168.03 14.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -56.4 -27.24 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.7 p -79.69 1.96 24.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.15 -39.47 3.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.534 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.489 ' CB ' HD22 ' A' ' 29' ' ' LEU . 7.1 m -51.65 166.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.936 0.398 . . . . 0.0 110.86 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.434 HG22 HG21 ' A' ' 35' ' ' VAL . 24.2 m -116.79 138.1 51.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.461 ' N ' ' CD1' ' A' ' 48' ' ' PHE . 2.9 m-85 -127.97 175.47 8.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.4 p -94.5 -175.97 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.468 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -76.34 11.51 12.48 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 65.7 m -117.89 -23.57 7.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.172 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -119.64 -5.28 10.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HD2' ' CD2' ' A' ' 40' ' ' PHE . 0.3 OUTLIER -41.68 -37.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -70.1 143.86 91.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.689 0.757 . . . . 0.0 110.922 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 58' ' ' HIS . 54.2 Cg_endo -69.74 -39.9 5.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -56.69 -34.33 67.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 t -74.43 -30.01 61.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.561 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.5 p-80 -128.35 113.8 16.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -47.74 93.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.6 t -58.1 118.7 5.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -69.68 -45.73 67.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -54.28 126.48 23.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t0 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.57 HG22 ' CG2' ' A' ' 35' ' ' VAL . 18.7 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.783 0.325 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -156.1 168.48 27.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.4 ' HB3' ' N ' ' A' ' 32' ' ' ASN . 8.0 t -57.41 167.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.585 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 28.0 tp -105.44 -9.5 17.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -111.01 -45.7 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 p -107.94 -7.68 16.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.4 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 51.8 t30 53.24 49.44 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.685 ' O ' HG13 ' A' ' 35' ' ' VAL . 10.5 ttpp -98.09 135.42 39.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -49.31 99.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 33' ' ' LYS . 34.5 m -100.84 -25.47 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.3 -114.61 0.63 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.519 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 p -92.98 -21.02 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.5 p -84.56 28.49 0.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.404 ' C ' ' CD1' ' A' ' 40' ' ' PHE . . . -94.08 -169.62 37.98 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.451 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.432 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 8.2 m-85 -144.69 107.47 4.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -62.09 151.06 36.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.8 t -130.93 164.97 24.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -52.17 -26.28 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.0 p -79.6 12.44 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.83 29.12 58.26 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.41 ' CB ' HD22 ' A' ' 29' ' ' LEU . 2.6 m -116.28 165.72 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.56 HG22 HG21 ' A' ' 35' ' ' VAL . 8.8 m -112.79 124.72 53.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.099 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 4.4 m-85 -122.06 179.66 4.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.0 p -99.64 161.13 13.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.432 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -44.44 -21.55 0.28 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.1 m -83.62 -52.93 6.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.1 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -100.62 32.19 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.401 ' HA ' ' HB2' ' A' ' 48' ' ' PHE . 8.5 ptm180 -73.86 -36.62 64.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -75.97 149.45 82.71 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.692 0.758 . . . . 0.0 110.946 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.574 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.6 Cg_endo -69.74 -35.52 12.55 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.718 2.279 . . . . 0.0 112.312 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.5 pm0 -72.08 -26.1 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 m -78.95 -32.74 45.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.574 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 4.6 p-80 -113.59 171.84 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -86.21 88.69 7.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.3 t -70.24 96.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -56.91 -46.99 81.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -44.34 138.37 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.817 HG22 HG23 ' A' ' 35' ' ' VAL . 16.3 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.82 0.343 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.595 ' HA ' HG22 ' A' ' 35' ' ' VAL . 62.9 mtt180 -144.78 159.73 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.3 t -45.51 169.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.566 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 21.9 tp -105.23 -16.55 14.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.3 m -108.38 -40.57 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 p -108.69 -1.46 19.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.9 m120 44.01 41.43 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.568 ' O ' HG13 ' A' ' 35' ' ' VAL . 77.1 tttt -92.25 141.59 28.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -50.73 105.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.817 HG23 HG22 ' A' ' 26' ' ' THR . 23.2 m -109.76 -14.91 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.585 ' O ' HG21 ' A' ' 26' ' ' THR . . . 35.12 -113.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.7 p -92.59 -31.19 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 0.0 111.115 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.3 p -60.25 -21.15 61.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.497 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -44.92 167.04 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -127.71 107.96 10.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -57.12 145.16 31.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.2 t -124.26 164.72 18.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -50.76 -26.92 6.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.9 p -81.69 13.76 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.16 25.04 56.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 m -109.77 167.0 10.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.95 0.405 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.6 m -112.19 128.7 56.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 12.0 m-85 -125.77 176.67 6.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.4 p -100.23 161.58 13.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.01 -21.56 0.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.6 m -82.89 -50.57 8.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -103.77 31.22 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -76.35 -30.65 57.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -85.55 151.56 56.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.72 0.772 . . . . 0.0 110.913 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.431 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 54.5 Cg_endo -69.72 -49.48 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.686 2.257 . . . . 0.0 112.391 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -47.16 -34.32 6.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -77.36 -30.32 53.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.551 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.0 p-80 -127.78 114.99 17.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -49.5 92.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 58' ' ' HIS . 5.2 t -60.4 112.49 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -61.57 -52.47 64.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -47.96 136.46 11.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.8 m -143.25 154.23 43.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -101.85 150.96 22.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.71 154.56 8.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -162.43 147.36 12.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.892 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 p -154.15 131.12 10.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.17 148.53 12.78 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.5 p -123.67 146.58 48.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 111.075 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -134.9 142.48 46.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.39 -162.45 25.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -109.98 47.76 1.01 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.502 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' SER . 5.7 t70 -79.39 -50.87 10.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.779 0.323 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' ASP . 9.2 t -35.04 124.85 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.37 -43.21 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.15 133.94 25.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.4 144.63 4.56 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 161.01 47.6 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.647 2.231 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 tt -55.15 100.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -143.04 155.72 62.09 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.604 0.716 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 168.35 21.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.718 2.279 . . . . 0.0 112.292 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 0.8 5.11 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.383 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -56.03 -41.9 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.9 p -168.07 151.04 5.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -144.65 137.65 26.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -146.12 179.24 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.069 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.682 HG22 HG23 ' A' ' 35' ' ' VAL . 3.1 m -124.71 115.77 21.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -140.2 171.01 14.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -60.25 166.61 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.503 HD22 ' CB ' ' A' ' 46' ' ' SER . 64.9 tp -101.13 -10.55 20.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -116.89 -41.75 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 33' ' ' LYS . 15.4 p -106.18 2.7 27.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.1 m120 40.18 38.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.426 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 78.0 tttt -88.99 144.15 26.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -59.37 101.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.682 HG23 HG22 ' A' ' 26' ' ' THR . 30.2 m -103.1 -19.31 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.632 ' O ' HG21 ' A' ' 26' ' ' THR . . . 42.08 -115.76 0.94 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.535 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.53 HG13 ' N ' ' A' ' 38' ' ' THR . 12.5 p -87.71 -45.99 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.53 ' N ' HG13 ' A' ' 37' ' ' VAL . 68.0 p -47.15 -28.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.438 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -37.19 156.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.471 ' CE1' ' HA2' ' A' ' 50' ' ' GLY . 36.0 m-85 -113.93 102.92 10.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.946 0.403 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -55.82 148.13 17.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.1 t -123.04 167.05 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.411 ' HD2' ' CE1' ' A' ' 64' ' ' PHE . 4.4 mtt-85 -57.11 -25.74 59.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.2 p -80.48 -11.35 59.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.49 -38.04 3.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.503 ' CB ' HD22 ' A' ' 29' ' ' LEU . 18.4 m -50.92 172.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.93 0.395 . . . . 0.0 110.857 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 m -124.16 128.86 49.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.472 ' CE2' ' CD2' ' A' ' 58' ' ' HIS . 2.9 m-85 -120.58 173.79 6.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.8 p -94.42 -179.86 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.471 ' HA2' ' CE1' ' A' ' 40' ' ' PHE . . . -67.12 -1.26 12.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.484 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.0 m -104.84 -34.36 8.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 0.0 111.133 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -116.32 25.89 10.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.435 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 11.7 ptt85 -68.47 -35.22 77.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.435 ' CD1' ' HG2' ' A' ' 53' ' ' ARG . 1.4 m-85 -74.85 150.93 86.44 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.727 0.775 . . . . 0.0 110.902 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.22 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -50.6 -30.78 14.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 m -78.31 -29.72 47.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.542 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 11.8 p-80 -129.24 115.71 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -47.73 93.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.3 t -60.11 114.85 3.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -64.35 -47.38 79.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -57.8 118.03 4.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -59.9 115.22 3.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' GLY . 22.5 m-85 -64.02 128.6 36.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' PHE . 24.0 mtmm 35.45 33.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . 78.72 -59.88 4.13 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.492 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.0 p -49.78 140.19 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.347 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.53 140.34 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.7 m -125.08 -45.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.46 80.76 0.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 114.49 3.72 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.735 2.29 . . . . 0.0 112.332 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.9 m -86.88 143.56 27.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.6 t -84.45 103.79 13.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.506 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -168.67 155.83 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.814 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -167.03 148.63 5.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.94 135.75 2.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 t -136.8 124.66 22.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -149.08 141.55 24.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.809 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.25 138.02 6.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.9 m -135.81 124.76 24.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.802 0.334 . . . . 0.0 111.111 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.2 ttt85 -111.57 159.95 17.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.68 -126.25 7.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.441 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 128.81 47.07 0.17 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.456 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.36 143.09 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.7 m -122.24 111.4 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.42 171.16 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.602 ' HB2' ' HA ' ' A' ' 46' ' ' SER . . . -101.45 109.94 21.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.074 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.479 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -159.25 157.66 27.64 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.585 0.707 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.479 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 54.0 Cg_endo -69.78 178.61 4.41 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.647 2.231 . . . . 0.0 112.37 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' PRO . 10.6 tp -35.62 -48.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -112.88 140.58 24.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.709 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 131.58 21.57 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 22' ' ' LYS . 53.9 Cg_endo -69.77 117.74 5.26 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.728 2.285 . . . . 0.0 112.381 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' PRO . 14.1 tppt? -35.41 -48.48 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.3 m -89.96 153.1 20.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 t -83.16 144.6 29.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -170.25 173.09 5.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.637 HG22 HG23 ' A' ' 35' ' ' VAL . 20.5 m -142.07 111.07 6.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' NH1' ' HD3' ' A' ' 34' ' ' LYS . 79.2 mtt-85 -138.06 169.62 17.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -62.49 168.4 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 27.7 tp -105.04 -10.1 17.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -109.87 -46.86 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.0 p -105.66 -10.53 16.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 57.04 47.14 18.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.536 ' O ' HG13 ' A' ' 35' ' ' VAL . 8.7 ttpt -98.59 137.56 37.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.421 ' HD3' ' NH1' ' A' ' 27' ' ' ARG . 15.1 tptp -54.32 96.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.637 HG23 HG22 ' A' ' 26' ' ' THR . 35.4 m -91.69 -30.55 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.71 -130.14 6.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 p -74.35 -27.93 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.377 . . . . 0.0 111.119 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.9 p -83.93 29.37 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.177 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.47 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -97.16 178.11 32.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.506 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.494 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 3.9 m-85 -133.59 106.74 7.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -63.88 165.96 7.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.3 t -134.33 165.38 25.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -52.9 -32.16 43.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.1 p -72.78 -20.23 61.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.68 -32.57 7.0 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.53 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.602 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 13.9 m -57.0 166.04 1.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.928 0.394 . . . . 0.0 110.893 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.447 HG22 HG21 ' A' ' 35' ' ' VAL . 5.7 m -115.79 129.98 56.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 4.4 m-85 -123.35 175.63 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.8 p -98.98 169.21 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.494 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -51.73 -19.15 4.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.1 m -85.91 -50.26 7.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -103.58 33.47 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 10.0 ptt180 -75.95 -34.38 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.408 ' CD1' ' HG2' ' A' ' 53' ' ' ARG . 3.2 m-85 -75.94 152.96 84.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.701 0.763 . . . . 0.0 110.915 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.432 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.77 -37.04 9.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.2 -35.08 76.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -74.85 -30.93 61.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.539 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.8 p-80 -125.14 114.85 19.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -45.4 96.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 6.6 t -72.93 104.92 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -41.55 98.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -46.83 132.24 11.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -58.97 129.56 42.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 8.1 m-85 -93.51 178.96 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -117.96 161.44 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.46 66.63 1.29 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.92 -18.51 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 111.112 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.6 119.42 3.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.4 170.64 13.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.18 85.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 3.15 2.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.6 m -72.39 165.06 25.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.7 t -95.31 45.89 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.435 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t 54.2 42.1 31.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 t -50.17 172.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.56 -158.62 11.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.4 m -140.09 155.46 47.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -155.02 160.62 41.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.12 -138.49 2.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.6 p -151.93 109.42 3.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -76.55 168.02 20.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.8 137.41 3.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.445 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.56 62.79 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -125.99 98.24 5.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 81.3 p -134.72 153.52 51.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.87 -61.27 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.101 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.54 81.45 8.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.422 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -174.39 155.99 2.25 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.565 0.698 . . . . 0.0 111.074 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 53.1 Cg_endo -69.75 152.35 69.34 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.307 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -38.97 -60.54 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.56 139.69 1.91 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.721 . . . . 0.0 110.863 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.405 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 54.3 Cg_endo -69.75 118.69 5.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 20' ' ' PRO . 53.8 Cg_endo -69.76 150.19 67.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.334 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -57.53 -46.91 83.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 m -128.32 135.26 49.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.2 p -84.0 119.45 24.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -149.53 177.32 9.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.6 HG22 ' CG2' ' A' ' 35' ' ' VAL . 24.0 m -110.6 125.1 53.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.159 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -152.15 163.21 39.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -51.62 168.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.475 HD22 ' CB ' ' A' ' 46' ' ' SER . 39.8 tp -104.61 -11.35 16.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -111.99 -42.85 3.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -109.98 0.39 18.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.0 m120 42.89 47.75 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.783 ' O ' HG13 ' A' ' 35' ' ' VAL . 23.8 tttp -98.57 131.61 44.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -42.75 105.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 33' ' ' LYS . 34.0 m -109.13 -20.87 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.95 -129.3 4.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.59 -36.68 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.938 0.399 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.6 p -57.35 -27.02 61.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.183 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.489 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -42.13 161.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.453 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 5.2 m-85 -114.21 116.92 29.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.95 0.405 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -70.04 150.11 46.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.0 t -120.7 163.85 17.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -53.21 -28.13 25.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.8 p -75.34 -21.08 58.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.7 -32.43 7.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.475 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.6 m -60.11 165.43 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.963 0.411 . . . . 0.0 110.831 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.488 ' CG2' HG21 ' A' ' 35' ' ' VAL . 17.7 m -108.1 148.73 29.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 47' ' ' THR . 8.8 m-85 -142.06 174.3 10.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.3 p -100.51 163.42 12.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.453 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -46.2 -22.84 1.01 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.435 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.8 m -82.39 -47.92 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.342 . . . . 0.0 111.137 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -106.58 32.68 4.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -75.63 -37.4 59.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -75.08 152.37 86.33 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 110.967 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.464 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.9 Cg_endo -69.75 -40.15 5.68 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.706 2.271 . . . . 0.0 112.328 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -60.78 -30.22 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.0 p -78.28 -31.18 48.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.7 p-80 -124.0 116.5 22.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -47.26 93.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.434 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 4.7 t -62.45 126.32 26.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -76.88 -45.39 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -48.82 135.97 14.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.93 117.37 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 13.2 m-85 -75.36 -178.92 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.581 ' O ' HG13 ' A' ' 67' ' ' VAL . 24.3 mmmt -83.23 39.41 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.64 42.71 1.05 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 65' ' ' LYS . 28.5 m -102.3 132.2 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 111.129 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.46 96.1 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.0 t -112.14 110.61 20.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.93 75.02 1.09 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -12.45 32.82 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.373 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.8 t -48.87 141.53 7.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 98.2 p -72.82 153.91 40.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.482 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -169.04 171.15 8.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.924 0.392 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -134.97 175.48 9.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.18 -163.95 11.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.0 p -164.64 162.17 21.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -167.0 173.35 9.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.26 141.94 7.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.5 p -124.74 131.27 53.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.1 mmm-85 -95.38 -49.82 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.25 -174.41 26.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.59 -102.02 2.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.534 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -116.97 109.96 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.9 p -106.06 177.95 4.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.87 45.22 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 50.53 39.1 20.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.84 142.51 0.75 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 93.05 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 tp -171.29 156.48 4.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -42.58 151.73 0.37 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.621 0.724 . . . . 0.0 110.846 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 118.81 5.9 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -165.72 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.289 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.54 109.66 21.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.7 t 40.32 54.36 2.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.1 m -130.8 94.48 3.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.3 -56.67 6.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.563 HG22 ' CG2' ' A' ' 35' ' ' VAL . 8.4 m -162.48 127.33 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -145.65 173.38 12.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.417 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 9.9 t -66.4 167.74 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.606 HD22 ' CB ' ' A' ' 46' ' ' SER . 40.4 tp -102.79 -10.84 18.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -114.3 -41.58 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 28' ' ' CYS . 23.4 p -105.93 -7.97 17.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 m120 53.24 36.84 23.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.483 ' O ' HG13 ' A' ' 35' ' ' VAL . 22.0 tttp -92.42 139.16 30.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -56.31 105.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.563 ' CG2' HG22 ' A' ' 26' ' ' THR . 34.7 m -101.29 -25.85 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 40.94 -127.81 3.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -77.98 -24.98 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.8 p -85.26 28.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.468 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -96.72 177.61 33.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.538 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 2.9 m-85 -132.15 106.87 8.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 110.846 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -62.26 167.17 4.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.6 t -137.45 163.06 32.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -52.17 -31.49 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.9 p -70.05 -23.25 63.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.0 -27.93 13.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.606 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.3 m -65.63 167.46 9.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.981 0.42 . . . . 0.0 110.862 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.496 HG22 HG21 ' A' ' 35' ' ' VAL . 6.6 m -110.58 141.63 43.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.51 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 6.0 m-85 -134.18 173.82 11.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.8 p -97.41 171.64 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.538 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -55.24 -16.53 9.37 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.7 m -87.42 -45.49 10.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 111.141 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -109.51 31.59 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -73.55 -39.91 64.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -75.85 152.12 84.66 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.74 . . . . 0.0 110.92 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.447 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.4 Cg_endo -69.81 -49.14 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -48.89 -33.2 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -76.72 -31.12 56.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 11.0 p-80 -126.19 115.2 19.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -46.69 94.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.492 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 4.5 t -64.07 117.52 7.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -68.51 -44.0 75.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -52.38 132.54 34.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.45 113.38 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 24.6 m-85 -66.43 -179.21 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -81.13 44.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' LYS . . . 34.81 48.41 0.71 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.445 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.6 p -122.54 134.18 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.375 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.29 146.57 53.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 99.5 p -80.08 143.33 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.4 103.5 0.17 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 3.38 2.82 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 t 73.42 42.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.9 t -90.33 131.14 36.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.521 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 t -163.47 139.87 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -101.12 144.34 30.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.57 80.88 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.452 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -158.95 157.87 32.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -162.24 128.33 3.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.74 -128.54 1.03 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.2 p -145.05 115.53 7.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.724 0.297 . . . . 0.0 111.155 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.17 85.72 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.89 86.5 1.69 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -137.49 -61.83 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.1 42.16 10.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.832 0.349 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.1 p -104.53 90.35 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.17 130.92 19.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.99 107.79 5.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -165.51 153.13 9.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.9 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.398 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.438 ' H ' HD12 ' A' ' 18' ' ' LEU . 5.4 mp -68.56 85.54 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.84 156.15 34.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.665 0.745 . . . . 0.0 110.815 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 155.6 65.29 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.697 2.265 . . . . 0.0 112.299 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 90.08 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.649 2.232 . . . . 0.0 112.319 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -101.55 -47.59 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.5 m -124.29 77.56 1.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.1 m -58.93 97.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.709 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . . . -168.0 156.19 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.589 HG22 ' CG2' ' A' ' 35' ' ' VAL . 41.3 m -93.63 121.14 34.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.709 ' NH1' ' HB3' ' A' ' 25' ' ' ALA . 48.3 mtt85 -148.53 170.54 17.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -61.14 169.11 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.587 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 14.3 tp -106.19 -11.73 15.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 m -108.63 -46.01 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.1 p -106.67 -9.52 16.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.0 t30 55.71 48.5 18.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.644 ' O ' HG13 ' A' ' 35' ' ' VAL . 23.9 tttp -100.72 133.98 44.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -48.37 102.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 33' ' ' LYS . 34.3 m -100.91 -28.89 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.85 -132.47 6.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.9 p -76.3 -24.96 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.5 p -87.79 33.38 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.47 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -97.1 -169.24 33.38 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 5.4 m-85 -139.79 110.61 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.882 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -70.25 160.58 31.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.7 t -131.1 165.01 24.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -52.75 -31.71 39.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 p -72.24 -20.8 61.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.62 -32.29 7.26 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.455 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.5 m -58.71 164.23 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.932 0.396 . . . . 0.0 110.894 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.512 HG22 HG21 ' A' ' 35' ' ' VAL . 19.9 m -111.38 140.18 46.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 3.0 m-85 -132.77 178.32 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.8 p -95.86 -174.65 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.443 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -79.82 24.31 3.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.6 m -129.03 -29.84 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.82 0.343 . . . . 0.0 111.177 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 53' ' ' ARG . 45.7 m80 -114.25 -8.12 12.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.823 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 52' ' ' HIS . 3.8 ptm180 -36.67 -34.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 52' ' ' HIS . 8.2 m-85 -72.77 148.88 90.1 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.734 0.778 . . . . 0.0 110.91 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.429 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.78 -38.72 7.37 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.33 -34.66 74.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 t -74.02 -32.05 63.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.531 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 15.9 p-80 -124.8 114.75 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -47.55 94.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.2 t -63.52 133.24 53.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -86.46 -39.69 16.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -59.16 113.9 2.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.26 120.94 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -69.15 179.43 1.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -55.08 -48.62 73.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.39 62.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' ALA . 8.9 p -128.16 -37.94 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -33.85 138.17 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.3 m -52.77 -55.95 19.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 155.94 -76.18 0.21 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 143.09 49.55 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 t -153.4 150.12 28.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.2 m -41.14 159.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.53 -179.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.4 p -150.87 118.57 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.363 . . . . 0.0 110.874 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -161.69 158.9 26.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.36 117.63 1.24 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -154.73 116.21 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -163.62 172.85 13.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.8 63.75 0.46 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.2 m -106.17 144.06 33.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 111.156 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.47 172.05 8.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.5 -158.36 19.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.21 109.05 2.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.529 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -104.75 45.97 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.4 p -113.2 83.66 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.65 138.09 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.52 30.33 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . . . -45.28 104.08 0.37 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.537 0.684 . . . . 0.0 111.065 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' ASP . 53.5 Cg_endo -69.77 -176.35 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.391 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.508 HD12 ' H ' ' A' ' 18' ' ' LEU . 5.4 mp -60.73 78.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' PRO . 2.6 m-20 -140.8 156.41 68.82 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.588 0.708 . . . . 0.0 110.858 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 169.94 17.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 88.93 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' SER . 10.4 tmtt? -150.56 130.36 13.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' LYS . 13.9 t -33.17 118.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -119.79 163.47 17.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -107.93 -176.94 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.586 HG22 ' CG2' ' A' ' 35' ' ' VAL . 2.9 m -138.39 119.82 14.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -142.15 169.56 17.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 8.6 t -58.21 168.5 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 52.5 tp -101.98 -11.9 18.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 m -116.69 -39.13 3.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.404 ' SG ' ' CB ' ' A' ' 28' ' ' CYS . 16.7 p -108.71 0.29 20.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 41.66 44.05 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.61 ' O ' HG13 ' A' ' 35' ' ' VAL . 41.5 tttm -95.57 136.99 35.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -52.33 98.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 33' ' ' LYS . 32.6 m -95.51 -27.55 4.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' VAL . . . 37.05 -135.52 0.74 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.34 -11.25 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.931 0.396 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -99.31 30.85 3.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.477 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -99.42 -175.23 31.33 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 1.4 m-85 -134.49 105.77 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.399 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -62.75 154.73 28.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.1 t -132.33 166.81 21.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -55.81 -30.66 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -74.53 -0.95 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.63 -35.54 3.04 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.566 ' CB ' HD22 ' A' ' 29' ' ' LEU . 4.7 m -56.08 165.45 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.545 HG22 HG21 ' A' ' 35' ' ' VAL . 22.5 m -115.4 133.63 55.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 2.2 m-85 -126.28 173.66 9.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.1 p -92.62 -174.33 3.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.411 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -79.63 19.75 5.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 83.7 m -124.62 -25.23 4.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.114 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -120.52 -1.54 10.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -42.85 -36.47 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.45 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 5.2 m-85 -68.21 145.72 97.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.692 0.758 . . . . 0.0 110.909 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.585 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.81 -31.54 20.1 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.626 2.218 . . . . 0.0 112.36 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -76.15 -23.47 54.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -83.79 -27.69 28.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.585 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 6.8 p-80 -119.58 167.16 12.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -83.6 87.16 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.498 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 4.6 t -73.98 84.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -52.27 -50.59 61.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -39.15 126.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.03 108.45 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.498 ' CZ ' ' SG ' ' A' ' 60' ' ' CYS . 51.0 m-85 -61.02 -51.97 66.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -172.99 172.02 4.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -44.02 -30.96 1.9 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.473 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.632 HG22 ' HB3' ' A' ' 69' ' ' SER . 9.0 p -43.79 -28.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . 36.13 48.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.066 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.632 ' HB3' HG22 ' A' ' 67' ' ' VAL . 78.3 p -100.59 -49.71 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.49 -145.62 42.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.54 21.45 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 t -170.73 157.49 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 m -111.76 -61.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.523 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -156.5 142.08 17.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.912 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -172.74 161.79 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.56 -137.38 2.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 t -156.13 159.97 39.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 m -149.09 161.61 41.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.9 -143.74 4.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.5 m -143.75 115.86 8.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 111.164 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.78 118.42 35.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.58 -133.42 2.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.9 92.57 2.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -100.19 163.79 12.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 t -53.15 97.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.13 110.51 5.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.591 ' HB3' ' OG1' ' A' ' 26' ' ' THR . . . -99.7 109.84 22.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -146.43 153.36 47.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 172.02 13.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 0.0 112.321 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 mt -48.94 -55.4 11.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -82.33 151.77 66.45 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.625 0.726 . . . . 0.0 110.861 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.447 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 53.7 Cg_endo -69.79 115.39 4.07 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 20' ' ' PRO . 53.9 Cg_endo -69.8 155.33 66.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.722 2.282 . . . . 0.0 112.333 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -49.6 -26.8 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.41 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 64.6 p -165.73 153.32 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 t -49.23 133.92 18.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.162 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -170.41 -178.12 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.696 HG22 HG23 ' A' ' 35' ' ' VAL . 13.9 m -157.96 110.55 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.097 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -140.92 168.12 20.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -53.96 168.06 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 46' ' ' SER . 51.3 tp -103.92 -10.63 18.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -114.32 -39.33 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.0 p -112.19 1.52 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 m120 41.07 51.64 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.645 ' O ' HG13 ' A' ' 35' ' ' VAL . 24.9 tttm -101.87 139.09 37.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -50.29 101.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.696 HG23 HG22 ' A' ' 26' ' ' THR . 26.8 m -104.45 -20.46 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' O ' HG21 ' A' ' 26' ' ' THR . . . 40.42 -123.24 2.21 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.8 p -85.79 -33.07 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.377 . . . . 0.0 111.12 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -61.19 -18.18 56.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.469 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -47.28 166.02 0.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.4 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 15.8 m-85 -120.45 99.84 6.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.937 0.398 . . . . 0.0 110.919 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 3.4 tppp? -49.39 151.45 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 13.5 t -129.75 168.07 17.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -56.23 -29.42 60.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.9 p -77.45 0.8 21.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.52 -20.06 6.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.474 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.4 m -68.44 171.99 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.93 0.395 . . . . 0.0 110.897 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.428 HG22 HG21 ' A' ' 35' ' ' VAL . 10.4 m -118.07 128.46 54.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 48' ' ' PHE . 3.4 m-85 -121.51 175.67 6.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.4 p -98.22 171.9 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.4 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -54.92 -14.14 5.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.7 m -91.09 -50.08 6.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.849 0.357 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -101.85 30.4 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -70.33 -38.23 74.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.45 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 1.7 m-85 -71.61 148.58 92.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.672 0.749 . . . . 0.0 110.919 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.578 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.77 -40.62 5.09 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.341 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -67.98 -21.25 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 m -78.5 -32.82 48.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 17.3 p-80 -118.37 177.69 4.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -87.96 86.93 7.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.1 t -70.46 91.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -52.53 -51.49 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -44.69 146.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -88.36 118.71 28.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -59.88 -175.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -77.11 48.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.25 52.72 45.02 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -139.11 126.12 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 111.148 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -131.46 98.41 4.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 p -150.81 109.3 3.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.814 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 162.24 64.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -43.18 2.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.644 2.23 . . . . 0.0 112.327 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.0 t -107.83 124.05 49.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.4 p -63.74 83.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.48 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m 55.3 44.86 26.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -146.23 144.95 30.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.29 -173.64 15.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -167.01 153.1 8.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.821 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 m -156.94 169.47 24.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' HA3' ' CZ ' ' A' ' 9' ' ' ARG . . . -113.59 144.32 18.13 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.7 p -91.95 48.65 1.45 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.764 0.316 . . . . 0.0 111.161 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.445 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -142.65 142.43 32.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.87 -133.72 5.71 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.64 -46.62 1.13 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -43.45 -44.5 5.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.3 m -134.88 102.26 5.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.71 160.97 10.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' HB2' ' HA ' ' A' ' 46' ' ' SER . . . -141.15 115.88 9.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.93 147.19 2.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.555 0.693 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -163.73 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.631 2.221 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.491 ' O ' HD12 ' A' ' 18' ' ' LEU . 2.8 pp -42.56 163.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 18' ' ' LEU . 7.9 p-10 -34.07 97.57 0.12 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.57 0.7 . . . . 0.0 110.906 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 19' ' ' ASP . 53.9 Cg_endo -69.73 169.94 17.7 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.665 2.243 . . . . 0.0 112.346 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 170.88 15.55 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.695 2.264 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -40.2 -43.83 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.1 m -89.7 148.74 23.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.9 m -122.08 129.35 52.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.24 176.1 5.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.57 HG22 HG23 ' A' ' 35' ' ' VAL . 4.3 m -134.06 110.85 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -134.14 171.2 14.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -60.8 170.62 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.5 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 28.3 tp -101.38 -15.38 17.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 m -112.51 -43.44 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 p -105.45 2.24 28.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 m120 39.18 44.89 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.567 ' O ' HG13 ' A' ' 35' ' ' VAL . 14.7 tttp -94.51 135.33 36.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 tptm -52.13 96.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.57 HG23 HG22 ' A' ' 26' ' ' THR . 28.4 m -95.71 -25.34 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' VAL . . . 36.82 -128.31 1.09 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -72.21 -26.39 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 111.174 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.3 p -83.52 27.06 0.62 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.438 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -98.26 168.39 23.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 3.3 m-85 -125.24 104.94 8.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.13 164.04 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.7 t -133.22 164.65 26.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -52.97 -30.7 36.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.0 p -74.43 -20.32 60.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.3 -32.35 7.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.429 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 15.7 m -56.79 166.8 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.942 0.401 . . . . 0.0 110.867 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -114.71 132.86 56.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 4.6 m-85 -125.86 172.84 9.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.3 p -98.06 170.86 8.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.449 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -52.72 -15.96 3.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.4 m -88.4 -53.46 4.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 111.15 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -100.66 34.92 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.417 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 9.6 ptt180 -76.61 -33.94 58.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.417 ' CE1' ' HG2' ' A' ' 53' ' ' ARG . 2.8 m-85 -77.08 151.71 81.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.696 0.76 . . . . 0.0 110.931 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.502 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.82 -42.88 2.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.246 . . . . 0.0 112.306 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.11 -32.51 66.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -76.35 -30.36 57.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.6 p-80 -125.24 114.12 18.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -45.62 94.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' HIS . 4.4 t -63.54 115.8 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -69.13 -45.11 70.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -52.06 126.41 18.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.34 119.05 6.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 14.0 m-85 -72.92 -179.03 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -81.23 47.04 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.29 40.7 98.12 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.0 t -111.17 140.95 28.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 111.078 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -110.97 87.37 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 99.7 p -59.82 167.7 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -111.33 103.08 1.52 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.473 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 1.72 4.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.64 2.226 . . . . 0.0 112.373 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.2 p -87.84 153.13 21.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.2 t -91.86 -46.49 7.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.47 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -135.89 174.7 10.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t -147.5 147.57 30.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.91 128.72 2.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -123.97 154.25 40.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -148.92 163.52 37.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.65 74.21 0.3 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.3 p -139.63 134.59 32.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.76 0.314 . . . . 0.0 111.17 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -124.58 125.72 44.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.81 134.35 1.63 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.464 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.91 -154.11 9.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.501 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -116.91 -63.1 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.4 m 59.11 42.78 18.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.28 164.02 38.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.83 97.67 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -151.22 109.53 3.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.573 0.701 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -177.43 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -53.32 107.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.02 154.18 44.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 170.08 17.5 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 8.3 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.632 2.221 . . . . 0.0 112.354 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' O ' HG23 ' A' ' 24' ' ' THR . 10.7 ttpt -88.04 158.54 18.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -53.86 95.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 22' ' ' LYS . 68.4 p -120.03 165.23 14.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.45 169.95 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.767 HG22 HG23 ' A' ' 35' ' ' VAL . 3.0 m -71.21 137.1 48.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.112 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.731 ' HA ' HG22 ' A' ' 35' ' ' VAL . 70.2 mtt180 -156.15 168.39 27.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -55.62 167.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.495 HD22 ' CB ' ' A' ' 46' ' ' SER . 17.8 tp -106.39 -10.8 16.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -108.11 -46.32 3.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.5 p -105.76 -11.41 16.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 58.24 44.49 18.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -96.76 141.33 30.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -51.08 110.78 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.767 HG23 HG22 ' A' ' 26' ' ' THR . 8.8 m -117.21 -13.77 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 35' ' ' VAL . . . 31.71 -102.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.461 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 38' ' ' THR . 7.5 p -93.88 -45.07 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 111.1 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.485 ' N ' HG13 ' A' ' 37' ' ' VAL . 30.8 p -48.05 -22.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.495 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -43.01 158.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -124.71 108.14 11.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -57.6 151.54 16.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.6 t -130.32 165.28 22.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 -53.07 -26.4 15.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 7.6 p -81.06 10.15 5.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.97 31.05 74.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.495 ' CB ' HD22 ' A' ' 29' ' ' LEU . 5.0 m -116.77 166.57 11.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.865 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m -112.85 126.9 55.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.55 ' CE2' ' CD2' ' A' ' 58' ' ' HIS . 11.9 m-85 -123.63 178.3 5.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.4 p -101.01 161.85 13.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.74 -19.7 0.54 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.2 m -85.17 -47.52 10.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 111.148 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -106.72 31.63 5.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -73.67 -36.3 65.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.439 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 3.3 m-85 -72.63 146.87 88.95 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.676 0.75 . . . . 0.0 110.91 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -38.83 7.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.4 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 pm0 -68.2 -30.79 69.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.3 m -74.62 -33.19 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.55 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 9.9 p-80 -120.45 120.57 36.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 59' ' ' GLU . 4.7 mp0 -43.12 97.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.1 t -76.95 95.96 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -47.8 -41.07 22.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.4 ' CE2' ' O ' ' A' ' 63' ' ' ASP . 31.6 t80 -50.38 142.79 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.4 ' O ' ' CE2' ' A' ' 62' ' ' PHE . 6.7 m-20 -69.74 136.79 51.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -105.06 -61.16 1.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -114.93 40.54 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.07 48.33 48.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.3 p -109.81 135.79 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.03 124.12 8.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.7 p -93.81 124.5 37.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.81 89.83 0.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 179.13 3.92 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t -53.96 150.15 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.0 m -98.91 127.81 44.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.489 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -160.4 151.54 19.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.856 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.7 m -126.04 169.06 13.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.9 -124.06 0.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -128.8 131.8 47.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.7 p -162.97 158.29 22.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.23 131.49 1.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 m -157.27 137.72 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 111.157 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.1 ptt85 -81.43 149.18 28.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.45 121.33 25.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.465 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.06 123.88 8.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.8 -52.86 36.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.6 m -123.74 87.02 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.823 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.78 125.23 45.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.077 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.51 96.1 8.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.71 154.25 2.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.568 0.699 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 18' ' ' LEU . 53.6 Cg_endo -69.73 179.04 3.96 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 17' ' ' PRO . 3.8 tt -34.29 -52.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -141.23 118.6 7.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.89 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 137.63 35.7 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -24.21 29.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.37 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -126.21 164.56 20.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 22' ' ' LYS . 17.5 m -35.75 138.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 24' ' ' THR . 10.2 t -53.63 119.76 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.408 ' HB1' ' HZ2' ' A' ' 34' ' ' LYS . . . -156.25 175.05 14.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.439 HG22 ' CG2' ' A' ' 35' ' ' VAL . 8.4 m -103.49 125.48 50.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HG3' ' C ' ' A' ' 26' ' ' THR . 74.3 mtt-85 -150.1 163.26 38.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.8 t -51.03 168.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.508 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 23.3 tp -105.15 -12.76 15.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.4 m -107.09 -47.08 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.7 -12.58 16.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 58.46 47.32 13.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.685 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -100.48 141.65 33.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HZ2' ' HB1' ' A' ' 25' ' ' ALA . 39.8 tptt -51.85 101.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 33' ' ' LYS . 31.8 m -105.06 -21.78 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.32 -125.42 3.24 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 38' ' ' THR . 8.0 p -79.15 -45.55 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 111.104 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.496 ' N ' HG13 ' A' ' 37' ' ' VAL . 72.4 p -49.11 -32.43 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.486 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -38.32 156.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.403 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 8.5 m-85 -109.77 122.06 46.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.863 0.363 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tttm -72.55 150.26 43.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.8 t -121.99 164.65 17.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -53.06 -28.91 27.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 p -75.58 -20.43 58.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.17 -32.2 7.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.48 ' CB ' HD22 ' A' ' 29' ' ' LEU . 13.4 m -58.02 166.62 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.41 . . . . 0.0 110.845 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.468 HG22 HG21 ' A' ' 35' ' ' VAL . 7.5 m -110.45 139.76 45.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 14.9 m-85 -132.93 177.49 7.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.8 p -102.88 167.59 9.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -51.01 -19.02 3.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 m -86.2 -48.6 8.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.796 0.331 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -106.39 34.98 3.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -76.15 -38.65 56.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -72.66 153.09 91.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.719 0.771 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.459 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.3 Cg_endo -69.79 -36.2 11.15 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.685 2.256 . . . . 0.0 112.303 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -63.12 -36.43 83.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -70.67 -31.47 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.533 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 15.5 p-80 -124.96 114.14 18.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -45.86 92.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 58' ' ' HIS . 5.1 t -63.49 129.23 39.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -80.76 -42.52 21.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -49.36 141.93 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.52 111.28 11.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -63.06 -178.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.536 ' HB2' HG22 ' A' ' 67' ' ' VAL . 64.2 mttm -95.47 177.76 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.39 -32.8 85.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.536 HG22 ' HB2' ' A' ' 65' ' ' LYS . 9.9 m -38.96 102.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' SER . . . -128.61 73.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 68' ' ' ALA . 4.1 m 34.09 41.41 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.28 121.74 5.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -36.64 10.47 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.374 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.8 p -160.65 154.04 21.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 56.0 p -114.91 103.38 10.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.509 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -150.79 110.39 4.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.868 0.366 . . . . 0.0 110.907 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -155.25 176.36 12.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.08 -176.06 17.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -123.81 96.55 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.833 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -108.62 155.15 21.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.76 136.65 5.79 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.55 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 8' ' ' THR . 11.5 t -97.51 95.95 7.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 111.176 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -126.33 -43.62 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.48 -127.1 1.68 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.514 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.75 -45.24 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.38 112.29 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.817 0.341 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 t -100.35 165.64 11.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.1 81.06 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.418 ' HB1' ' HA ' ' A' ' 29' ' ' LEU . . . 43.53 40.38 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.516 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -88.5 158.97 47.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.516 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 53.5 Cg_endo -69.79 -172.7 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.667 2.244 . . . . 0.0 112.33 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -55.35 -55.2 34.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.82 150.36 95.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.554 0.693 . . . . 0.0 110.887 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.84 11.48 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 145.68 57.84 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.348 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -60.3 -39.96 88.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.6 t -120.3 148.23 43.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -86.48 44.67 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.78 164.38 26.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.508 HG22 ' CG2' ' A' ' 35' ' ' VAL . 5.7 m -109.72 126.3 53.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -149.36 168.19 24.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 t -58.07 167.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.418 ' HA ' ' HB1' ' A' ' 15' ' ' ALA . 21.5 tp -103.08 -11.82 17.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -112.74 -43.6 3.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.2 p -104.22 -6.06 21.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.5 t30 50.22 40.45 22.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.532 ' O ' HG13 ' A' ' 35' ' ' VAL . 18.0 ttmm -94.34 140.33 29.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.65 106.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.571 HG21 HG22 ' A' ' 47' ' ' THR . 33.8 m -106.21 -24.43 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.92 -117.2 0.81 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 p -86.44 -23.78 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 111.169 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.3 p -84.16 31.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -99.87 -176.76 30.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -138.52 112.49 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.923 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -65.74 158.35 27.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.1 t -136.37 164.87 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -51.33 -27.03 8.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.5 p -81.09 15.15 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.34 27.96 48.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -111.7 167.22 10.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 110.883 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.571 HG22 HG21 ' A' ' 35' ' ' VAL . 5.5 m -115.45 123.21 48.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.512 ' N ' ' CD1' ' A' ' 48' ' ' PHE . 1.6 m-85 -119.82 176.25 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.3 p -92.88 -176.3 4.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.19 19.95 6.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.0 m -126.15 -24.23 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 111.157 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -118.45 -6.93 10.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -39.57 -36.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -72.05 144.11 87.16 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.715 0.769 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 54.2 Cg_endo -69.75 -42.43 3.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.246 . . . . 0.0 112.364 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -54.14 -29.83 46.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.8 t -84.17 -27.63 27.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 6.7 p-80 -127.9 116.95 20.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.6 90.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 8.2 t -59.53 110.22 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -61.23 -37.81 84.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -65.69 121.25 14.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -51.12 137.31 22.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 39.0 m-85 -92.81 178.36 5.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -113.29 -45.23 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.56 69.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 p -114.09 -27.01 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 111.128 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.01 40.6 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.8 t -78.59 93.36 4.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.819 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -146.35 -158.09 7.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 121.66 8.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.244 . . . . 0.0 112.359 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.0 t -50.36 161.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.2 p -80.79 167.02 20.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.507 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 t -168.63 127.13 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.816 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 t -174.64 165.55 3.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.61 -172.02 20.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -146.97 117.48 7.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.884 0.373 . . . . 0.0 110.832 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 t -76.84 -53.59 7.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.61 138.69 8.81 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.8 p -130.99 116.42 17.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.735 0.302 . . . . 0.0 111.129 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -92.2 161.99 14.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.65 106.36 0.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.91 118.22 4.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -141.2 109.71 5.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 m -53.2 152.22 4.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.91 124.78 43.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.32 44.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' HB1' ' HD2' ' A' ' 17' ' ' PRO . . . -158.27 156.15 27.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.562 0.696 . . . . 0.0 111.086 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HD2' ' HB1' ' A' ' 16' ' ' ALA . 54.1 Cg_endo -69.72 -172.82 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.377 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -39.51 103.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -110.0 153.32 43.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.678 0.751 . . . . 0.0 110.86 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.427 ' C ' ' H ' ' A' ' 22' ' ' LYS . 53.5 Cg_endo -69.79 170.07 17.46 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 12.59 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 23' ' ' SER . 10.0 tmtt? -75.39 150.98 38.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.477 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 29.1 t -34.97 -48.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 24' ' ' THR . 28.6 m 40.28 49.17 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.43 172.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.683 HG22 HG23 ' A' ' 35' ' ' VAL . 16.1 m -80.38 119.74 23.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -143.92 167.63 21.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.6 t -58.72 167.8 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.611 HD22 ' CB ' ' A' ' 46' ' ' SER . 46.1 tp -101.65 -10.31 20.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -115.68 -44.37 2.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.2 p -103.77 -2.15 26.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.6 m120 46.04 37.23 3.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 35' ' ' VAL . 20.5 ttmt -88.11 140.68 29.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -57.67 98.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.683 HG23 HG22 ' A' ' 26' ' ' THR . 27.6 m -95.25 -29.38 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 42.9 -131.3 5.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 p -73.89 -26.73 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.93 0.395 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.6 p -83.18 26.37 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.439 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -92.76 -174.41 41.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 1.8 m-85 -143.31 109.01 5.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -64.24 164.2 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.5 t -134.26 164.64 26.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -51.66 -33.1 32.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -71.04 -22.14 62.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.63 -30.19 9.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.611 ' CB ' HD22 ' A' ' 29' ' ' LEU . 6.3 m -62.48 164.78 6.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.889 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.6 m -108.56 140.43 41.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.164 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 8.9 m-85 -132.98 173.81 11.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.9 p -99.86 166.73 10.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.83 -24.21 4.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.2 m -80.86 -48.25 12.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 111.169 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -106.34 31.72 4.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.434 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 9.7 ptt180 -75.45 -32.92 60.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.434 ' CD1' ' HG2' ' A' ' 53' ' ' ARG . 2.6 m-85 -78.25 150.88 77.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.679 0.752 . . . . 0.0 110.886 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.464 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.74 -41.45 4.3 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 57' ' ' SER . 4.4 pt-20 -59.03 -32.42 69.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 2.5 m -75.61 -31.32 59.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 13.4 p-80 -124.59 114.88 19.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 59' ' ' GLU . 24.6 mp0 -45.22 96.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.33 120.83 13.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -73.32 -45.82 53.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -57.13 132.2 52.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -59.48 138.8 57.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 67' ' ' VAL . 15.6 m-85 -90.64 30.77 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 65' ' ' LYS . 21.9 tttp 64.06 52.26 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 41.1 69.83 0.47 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.493 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 64' ' ' PHE . 13.9 p -137.61 145.31 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.346 . . . . 0.0 111.087 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.08 174.45 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.4 p -102.92 148.56 25.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -110.46 84.89 0.38 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.434 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 91.12 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.707 2.271 . . . . 0.0 112.335 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 p -72.49 108.12 5.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 m -124.1 43.42 3.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.521 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 p -134.2 166.81 21.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.875 0.369 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -146.98 176.05 10.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.63 -170.75 14.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -153.15 164.82 37.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.818 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -166.58 135.77 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.2 145.26 7.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -167.15 164.15 15.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 111.152 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -109.47 162.69 14.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.63 133.58 2.38 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.41 59.15 3.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.512 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -111.45 97.62 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.7 m -131.76 166.66 21.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.84 109.72 15.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.01 39.85 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -157.72 125.88 2.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.527 0.679 . . . . 0.0 111.077 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -172.38 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.7 2.266 . . . . 0.0 112.367 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tp -46.97 118.44 2.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -149.39 161.62 31.32 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.61 0.719 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.94 17.74 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.744 2.296 . . . . 0.0 112.317 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 110.84 2.65 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 23' ' ' SER . 8.9 ttmm -167.82 149.87 5.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.453 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 3.7 m -38.0 124.53 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 t -53.57 148.73 9.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.87 171.29 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.604 HG22 ' CG2' ' A' ' 35' ' ' VAL . 11.1 m -130.44 122.18 27.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.4 mtt85 -146.49 173.08 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.9 t -65.92 167.76 9.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.461 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 46.2 tp -103.91 -10.01 18.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 m -112.33 -45.27 3.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.797 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.4 p -105.32 -9.17 17.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 51.5 t30 53.49 45.21 28.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.531 ' O ' HG13 ' A' ' 35' ' ' VAL . 25.9 tttp -96.7 139.34 32.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -55.6 97.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.604 ' CG2' HG22 ' A' ' 26' ' ' THR . 34.6 m -94.42 -29.45 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 42.05 -133.65 4.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.8 p -72.15 -24.73 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 111.151 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -87.0 29.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.491 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -98.9 178.24 30.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.486 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 6.6 m-85 -130.54 102.96 6.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 110.836 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.31 165.13 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.9 t -136.01 166.13 24.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -54.2 -30.84 51.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 p -79.14 7.85 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.1 -38.5 2.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.457 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.9 m -51.57 166.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 110.864 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.571 HG22 HG21 ' A' ' 35' ' ' VAL . 27.2 m -116.57 139.64 50.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.472 ' CE2' ' CD2' ' A' ' 58' ' ' HIS . 6.7 m-85 -130.21 172.49 11.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.4 p -97.54 170.95 8.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.486 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -53.26 -19.63 8.52 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.6 m -85.64 -48.85 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -104.45 32.6 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.2 ptt85 -73.87 -36.37 64.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -75.79 152.29 84.83 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.686 0.755 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.423 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.3 Cg_endo -69.73 -43.33 2.75 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -54.8 -34.89 63.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 t -73.75 -31.45 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 12.2 p-80 -126.13 113.15 16.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -45.69 96.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.482 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 2.9 t -63.92 125.7 25.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -79.47 -46.12 18.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.429 ' CE2' ' O ' ' A' ' 63' ' ' ASP . 33.0 t80 -52.25 125.13 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.429 ' O ' ' CE2' ' A' ' 62' ' ' PHE . 11.6 t0 -49.55 129.5 19.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.482 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 6.9 m-85 -88.26 177.49 6.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 66' ' ' GLY . 53.7 mtmt -122.99 81.94 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' LYS . . . 34.32 58.97 0.66 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.9 p -106.78 145.31 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.118 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.97 105.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -174.77 174.88 2.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.34 174.51 35.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 87.23 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.69 2.26 . . . . 0.0 112.294 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.2 t -55.81 161.33 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.7 t -43.72 104.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.465 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 t -162.4 165.55 26.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -161.57 173.64 14.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.32 168.61 11.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -65.21 157.11 29.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 m -92.49 141.52 28.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.45 -143.08 10.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.0 m -61.03 93.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 111.131 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -108.86 148.73 30.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.49 -156.27 15.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.512 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.61 -179.67 35.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -161.04 158.84 28.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.748 0.309 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.3 t -96.21 83.16 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.08 163.17 40.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 26' ' ' THR . . . -68.49 95.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -157.78 129.79 4.08 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.531 0.681 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -174.89 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.436 HD12 ' HB3' ' A' ' 19' ' ' ASP . 3.3 pp -40.82 -34.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.436 ' HB3' HD12 ' A' ' 18' ' ' LEU . 4.5 p-10 -123.88 135.78 26.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.878 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 135.53 30.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 156.07 64.52 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.726 2.284 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.94 -50.04 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 24' ' ' THR . 30.8 t -128.43 122.24 30.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' SER . 22.8 p -34.03 136.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.099 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -150.22 166.93 28.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.748 HG22 HG23 ' A' ' 35' ' ' VAL . 16.2 m -132.55 116.0 16.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -144.26 172.56 12.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -61.41 168.76 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.464 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 12.2 tp -106.23 -13.0 15.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -108.32 -44.59 4.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.7 p -107.3 -7.29 16.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.81 46.18 26.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.659 ' O ' HG13 ' A' ' 35' ' ' VAL . 44.2 tttt -97.07 137.25 36.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -50.17 105.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.748 HG23 HG22 ' A' ' 26' ' ' THR . 34.7 m -106.83 -19.6 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.573 ' O ' HG21 ' A' ' 26' ' ' THR . . . 41.2 -118.85 1.4 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.2 p -95.28 -21.23 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.941 0.4 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.7 p -84.72 28.57 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.437 ' C ' ' CD1' ' A' ' 40' ' ' PHE . . . -86.86 -157.94 31.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 27.7 m-85 -148.77 106.47 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER -65.7 155.39 36.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 48.8 t -134.92 165.83 24.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -51.03 -34.68 30.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.6 p -68.68 -22.35 64.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.83 -26.32 24.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -63.22 165.52 7.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.412 . . . . 0.0 110.839 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.513 HG22 HG21 ' A' ' 35' ' ' VAL . 13.3 m -109.93 134.52 52.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 5.5 m-85 -129.4 174.65 9.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.0 p -94.66 -177.98 4.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.85 3.55 9.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.426 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.5 m -109.66 -37.57 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 111.159 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -114.17 32.38 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 7.7 ptt85 -76.24 -35.8 58.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.459 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 3.5 m-85 -71.41 147.95 93.07 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.663 0.744 . . . . 0.0 110.915 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.573 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.5 Cg_endo -69.77 -33.71 16.0 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.738 2.292 . . . . 0.0 112.332 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -74.21 -26.04 60.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 m -78.31 -31.34 48.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 7.9 p-80 -116.79 171.37 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -85.39 88.2 7.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.0 t -71.09 92.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' PHE . 82.7 mm-40 -54.96 -50.87 67.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' GLN . 5.9 t80 -35.8 126.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.87 97.56 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -54.43 165.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -101.04 177.97 4.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -50.6 -42.73 44.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.442 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.7 p -38.29 142.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 111.108 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.19 112.07 1.26 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.9 p -70.23 -33.23 71.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.18 156.43 20.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 135.55 30.73 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.734 2.289 . . . . 0.0 112.298 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.1 t -108.65 103.19 12.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.1 p -88.7 -52.03 5.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.157 -0.801 . . . . 0.0 112.486 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m -134.27 107.02 7.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.398 . . . . 0.0 110.841 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -169.53 105.65 0.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.07 69.9 0.2 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 t -109.19 91.43 3.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.8 p -148.71 173.85 12.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.64 101.07 2.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.485 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.1 p -129.97 40.09 3.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.768 0.318 . . . . 0.0 111.12 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -114.04 119.59 37.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.5 -41.92 0.36 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ASP . . . -99.47 48.49 1.26 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' GLY . 5.9 p-10 -36.7 -45.05 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 m -118.13 110.98 18.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.53 -60.34 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.63 ' HA ' HD13 ' A' ' 29' ' ' LEU . . . -95.78 88.22 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.66 144.53 0.89 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 174.06 10.04 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.726 2.284 . . . . 0.0 112.331 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -49.32 -37.71 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -81.68 141.85 48.71 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.628 0.727 . . . . 0.0 110.852 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 119.16 6.15 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.644 2.23 . . . . 0.0 112.382 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 107.18 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.258 . . . . 0.0 112.326 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -42.87 -41.84 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.5 t -84.61 103.13 13.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.9 m -77.27 106.62 9.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.162 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -171.65 161.88 6.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.529 HG22 ' CG2' ' A' ' 35' ' ' VAL . 5.7 m -85.11 128.05 34.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -152.2 168.37 25.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 t -55.91 168.96 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.63 HD13 ' HA ' ' A' ' 15' ' ' ALA . 21.2 tp -106.06 -13.02 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -107.87 -45.17 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.0 p -106.17 -9.74 16.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 t30 54.76 46.9 23.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.7 ' O ' HG13 ' A' ' 35' ' ' VAL . 14.0 tttp -99.42 140.02 34.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -50.08 107.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 33' ' ' LYS . 33.1 m -111.17 -26.11 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.65 -110.83 0.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 38' ' ' THR . 7.2 p -88.14 -44.49 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.476 ' N ' HG13 ' A' ' 37' ' ' VAL . 59.5 p -50.06 -24.86 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.426 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -40.46 159.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.486 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -121.83 87.81 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.915 0.388 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -43.6 154.93 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.9 t -129.18 166.2 19.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -51.3 -34.12 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.7 p -69.97 -22.01 63.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.39 -29.18 11.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.533 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.454 ' CB ' HD22 ' A' ' 29' ' ' LEU . 3.5 m -61.82 165.12 5.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.966 0.412 . . . . 0.0 110.832 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.6 m -112.17 139.21 47.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.498 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 9.8 m-85 -132.43 177.18 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.7 p -100.39 172.43 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -55.4 -12.25 4.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 m -93.62 -49.76 5.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 111.114 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -103.01 35.26 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -75.85 -37.26 59.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -70.14 151.9 95.86 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.688 0.756 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.577 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.7 Cg_endo -69.79 -40.4 5.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -67.7 -23.77 65.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.7 p -77.58 -34.3 53.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 6.6 p-80 -114.0 175.81 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -87.71 85.58 7.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.8 t -68.8 96.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -59.03 -49.95 75.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -47.95 132.04 15.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -73.27 121.19 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -71.79 141.54 49.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 66' ' ' GLY . 34.1 mttm -107.11 82.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' LYS . . . 34.76 56.66 0.8 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.2 p -124.26 131.85 72.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.332 . . . . 0.0 111.173 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 51.04 41.39 27.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.5 m -112.45 148.88 33.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 52.93 -169.64 0.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' SER . 53.5 Cg_endo -69.73 113.56 3.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 71' ' ' PRO . 16.5 m -38.0 -51.84 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.8 m -106.26 94.2 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.471 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 m -140.46 148.06 40.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.894 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.0 p -98.05 -33.22 11.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.02 -177.4 21.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 p -155.18 118.06 4.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -104.61 83.33 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.26 -178.96 15.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.533 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.6 m -155.02 133.62 11.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 111.191 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.18 -62.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.41 178.56 19.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 132.27 98.32 0.71 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.03 89.4 6.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.837 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.6 p -137.57 136.0 37.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.48 99.44 5.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.072 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.561 ' HB1' ' HA ' ' A' ' 46' ' ' SER . . . -115.83 68.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' N ' ' CD ' ' A' ' 17' ' ' PRO . . . 37.38 50.61 1.91 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 16' ' ' ALA . 53.5 Cg_endo -69.76 110.63 2.6 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.701 2.268 . . . . 0.0 112.325 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 16' ' ' ALA . 6.6 mp -76.01 -21.86 56.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.72 160.99 74.58 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.577 0.703 . . . . 0.0 110.856 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.4 ' C ' ' H ' ' A' ' 22' ' ' LYS . 54.2 Cg_endo -69.73 170.17 17.18 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 9.27 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.746 2.297 . . . . 0.0 112.339 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.53 ' O ' ' C ' ' A' ' 23' ' ' SER . 25.6 tptt -47.61 166.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.53 ' C ' ' O ' ' A' ' 22' ' ' LYS . 77.4 p -27.11 117.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 23' ' ' SER . 27.8 m -36.7 150.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.21 173.81 3.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.681 HG22 HG23 ' A' ' 35' ' ' VAL . 5.5 m -155.21 124.56 6.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.539 ' HA ' HG22 ' A' ' 35' ' ' VAL . 64.3 mtt-85 -146.93 169.08 19.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -55.8 168.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.525 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 26.7 tp -103.11 -13.86 16.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -110.7 -44.64 3.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.6 p -103.08 -5.1 23.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.3 t30 47.57 44.31 16.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' O ' HG13 ' A' ' 35' ' ' VAL . 16.2 ttmm -97.69 144.05 27.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HD3' ' CZ ' ' A' ' 27' ' ' ARG . 10.4 tptp -54.34 106.21 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.681 HG23 HG22 ' A' ' 26' ' ' THR . 16.3 m -110.34 -20.85 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.61 -116.47 0.66 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 38' ' ' THR . 7.3 p -84.77 -45.09 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.833 0.349 . . . . 0.0 111.085 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.482 ' N ' HG13 ' A' ' 37' ' ' VAL . 69.9 p -48.8 -28.28 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.496 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -39.08 159.78 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.433 ' CB ' ' HB2' ' A' ' 53' ' ' ARG . 16.6 m-85 -116.78 113.94 23.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -65.36 147.46 53.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.8 t -122.31 162.86 20.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.0 mtt-85 -53.75 -28.18 32.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 6.9 p -75.52 -20.11 58.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.18 -33.52 6.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.561 ' HA ' ' HB1' ' A' ' 15' ' ' ALA . 4.4 m -59.88 163.99 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.407 . . . . 0.0 110.875 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.408 HG22 HG21 ' A' ' 35' ' ' VAL . 33.5 m -108.54 145.98 33.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 15.3 m-85 -138.2 178.19 7.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' ARG . 20.9 p -103.57 166.37 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.432 ' HA2' ' CE1' ' A' ' 40' ' ' PHE . . . -47.17 -26.73 3.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.3 m -78.82 -49.9 12.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.127 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -105.38 32.63 4.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . 18.2 ptt85 -74.69 -36.58 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -73.75 149.56 88.15 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.692 0.758 . . . . 0.0 110.95 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.413 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.6 Cg_endo -69.69 -35.44 12.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.325 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.43 -32.32 71.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -74.56 -32.02 62.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 58' ' ' HIS . 6.4 p-80 -119.78 122.1 40.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -46.36 96.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.5 t -75.51 115.39 15.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -64.83 -42.94 94.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.478 ' CE2' ' O ' ' A' ' 63' ' ' ASP . 54.7 t80 -51.46 136.65 25.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.478 ' O ' ' CE2' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -61.01 142.38 56.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -114.16 -50.19 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -130.84 83.29 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 38.5 43.29 1.52 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.509 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.5 p -122.29 142.06 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 111.148 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -128.81 100.87 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.0 m 42.29 42.41 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.402 ' HA2' ' HD2' ' A' ' 71' ' ' PRO . . . -107.08 92.23 0.76 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.402 ' HD2' ' HA2' ' A' ' 70' ' ' GLY . 53.8 Cg_endo -69.75 124.32 10.97 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.1 m -77.45 128.22 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.2 t -131.62 102.93 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.504 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -79.8 82.58 5.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -54.25 94.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.72 154.73 31.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -51.11 97.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.829 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 p -122.48 42.89 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -155.6 117.49 0.79 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.8 t -35.32 109.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 111.147 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -92.33 127.14 37.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.28 -178.02 19.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.47 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.95 130.2 1.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -93.96 154.83 17.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.6 m -79.96 104.47 10.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.61 173.71 10.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' ALA . . . -97.42 172.57 7.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' ALA . . . -34.04 110.58 0.38 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.497 0.665 . . . . 0.0 111.137 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 177.39 5.62 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.301 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 mp 57.0 41.79 27.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -89.23 145.75 34.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.599 0.714 . . . . 0.0 110.858 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 164.3 35.09 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.724 2.282 . . . . 0.0 112.342 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -21.85 32.59 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.682 2.255 . . . . 0.0 112.295 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.445 ' O ' HG23 ' A' ' 24' ' ' THR . 0.3 OUTLIER -61.52 179.09 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.8 p -47.4 127.19 10.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 22' ' ' LYS . 29.2 p -142.8 109.28 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -112.5 -175.12 2.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.553 HG22 ' CG2' ' A' ' 35' ' ' VAL . 20.2 m -69.21 125.83 27.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -149.76 169.64 20.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.8 t -60.21 168.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.703 HD22 ' CB ' ' A' ' 46' ' ' SER . 32.0 tp -104.67 -11.27 16.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.3 m -111.98 -42.11 3.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.3 p -107.93 -8.25 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 52.5 47.57 24.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.643 ' O ' HG13 ' A' ' 35' ' ' VAL . 66.7 tttt -101.35 135.23 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -49.69 103.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.643 HG13 ' O ' ' A' ' 33' ' ' LYS . 34.6 m -102.55 -25.18 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.51 -125.67 1.67 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -80.26 -24.62 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 111.113 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.3 p -84.43 27.3 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.445 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -94.16 -171.29 38.32 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.493 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 3.1 m-85 -143.85 109.06 5.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.929 0.395 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -62.26 167.29 4.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.9 t -141.58 163.97 31.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -51.63 -32.42 29.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.75 -23.17 63.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.61 -25.15 26.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.703 ' CB ' HD22 ' A' ' 29' ' ' LEU . 10.6 m -68.31 167.1 15.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.923 0.392 . . . . 0.0 110.886 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.574 HG22 HG21 ' A' ' 35' ' ' VAL . 8.2 m -105.99 141.02 38.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 48' ' ' PHE . 8.0 m-85 -134.25 172.09 13.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.3 p -96.62 168.14 10.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.493 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -51.69 -17.54 3.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.533 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.4 m -87.15 -49.21 7.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.807 0.337 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -104.2 32.59 3.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -74.96 -37.94 61.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -78.72 151.42 76.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.672 0.749 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 54.0 Cg_endo -69.78 -41.77 3.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.383 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -56.43 -33.28 65.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 m -75.97 -31.33 58.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 14.7 p-80 -124.83 113.79 18.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -45.96 90.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.477 ' N ' ' O ' ' A' ' 58' ' ' HIS . 6.9 t -62.5 124.08 20.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -77.04 -36.43 56.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.3 145.36 22.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -77.06 116.02 17.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -67.51 -176.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -116.86 160.43 20.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -40.15 -36.96 0.97 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.482 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.6 m -38.18 -36.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 111.111 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -172.61 113.75 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.063 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.6 t -92.67 79.91 4.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 59.94 137.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 126.54 13.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.643 2.229 . . . . 0.0 112.343 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 71.8 p -64.3 84.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 p -140.18 160.42 40.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.485 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 p -173.75 147.64 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.822 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -159.7 166.72 29.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.75 93.87 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -121.97 157.84 30.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.5 p -114.95 168.44 9.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.71 62.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -92.31 85.48 5.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.769 0.318 . . . . 0.0 111.087 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.34 105.74 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.93 -79.39 0.43 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.64 -48.59 22.04 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.3 t70 70.14 41.94 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.881 0.372 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.1 m -89.16 82.52 6.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.19 158.67 36.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 108.58 3.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -159.08 105.29 1.55 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.589 0.709 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.474 ' O ' ' N ' ' A' ' 19' ' ' ASP . 53.9 Cg_endo -69.77 179.04 3.98 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' PRO . 1.2 pt? -35.76 -31.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 17' ' ' PRO . 3.1 p-10 -114.47 123.59 32.07 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.559 0.695 . . . . 0.0 110.843 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 114.82 3.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 1.34 4.52 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt 53.17 41.5 32.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 t -143.37 148.69 36.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -107.53 41.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.46 153.65 51.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.623 HG22 ' CG2' ' A' ' 35' ' ' VAL . 7.0 m -96.65 121.03 38.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.2 mtt85 -146.08 173.12 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -63.11 168.1 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.489 HD22 ' CB ' ' A' ' 46' ' ' SER . 15.9 tp -105.81 -12.15 15.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -110.46 -39.92 4.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 p -110.12 -9.78 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 53.22 47.59 24.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.573 ' O ' HG13 ' A' ' 35' ' ' VAL . 77.0 tttt -100.81 141.44 33.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -54.08 104.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.623 ' CG2' HG22 ' A' ' 26' ' ' THR . 34.1 m -104.5 -27.84 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 40.66 -134.87 2.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 p -74.75 -14.17 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 111.097 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.9 p -95.51 30.21 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.445 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -101.58 177.73 27.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.468 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 2.6 m-85 -126.44 107.02 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -65.59 156.74 31.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.4 t -126.11 168.03 14.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -56.4 -27.24 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.7 p -79.69 1.96 24.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.15 -39.47 3.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.534 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.489 ' CB ' HD22 ' A' ' 29' ' ' LEU . 7.1 m -51.65 166.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.936 0.398 . . . . 0.0 110.86 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.434 HG22 HG21 ' A' ' 35' ' ' VAL . 24.2 m -116.79 138.1 51.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 48' ' ' PHE . 2.9 m-85 -127.97 175.47 8.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.4 p -94.5 -175.97 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.468 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -76.34 11.51 12.48 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 65.7 m -117.89 -23.57 7.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.172 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -119.64 -5.28 10.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HD2' ' CD2' ' A' ' 40' ' ' PHE . 0.3 OUTLIER -41.68 -37.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -70.1 143.86 91.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.689 0.757 . . . . 0.0 110.922 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 58' ' ' HIS . 54.2 Cg_endo -69.74 -39.9 5.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -56.69 -34.33 67.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 t -74.43 -30.01 61.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.561 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.5 p-80 -128.35 113.8 16.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -47.74 93.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.542 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 3.6 t -58.1 118.7 5.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -69.68 -45.73 67.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -54.28 126.48 23.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -56.68 121.85 10.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 25.4 m-85 -75.86 171.91 13.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 66' ' ' GLY . 31.3 mmtp -109.55 79.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' LYS . . . 34.33 55.14 0.75 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 67' ' ' VAL . 12.6 p -125.39 120.88 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 111.133 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -97.89 172.35 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.5 t -67.89 -49.98 58.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.12 -151.77 18.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -25.7 28.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.667 2.245 . . . . 0.0 112.307 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.8 t -50.27 136.33 20.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 m -158.48 153.56 25.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.476 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -140.05 151.71 45.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -153.32 147.41 25.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.49 -177.21 24.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 m -158.54 147.29 18.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -155.63 140.99 17.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.44 106.16 0.64 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.5 p -103.41 40.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 111.183 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -84.91 135.37 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.22 119.82 0.95 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.465 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -42.62 120.56 2.53 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.535 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.27 -53.65 18.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.471 ' HG ' ' HG1' ' A' ' 26' ' ' THR . 3.0 t -109.48 84.65 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.59 163.51 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.11 28.42 7.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.57 112.63 0.27 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.526 0.679 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 78.91 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.988 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -134.98 3.38 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.8 ' N ' HD13 ' A' ' 18' ' ' LEU . 7.4 p-10 -175.96 149.02 0.98 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.693 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 158.75 55.88 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 79.21 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.64 2.227 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -114.01 -47.68 2.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' THR . 16.8 m -126.61 -56.35 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 24' ' ' THR . 9.0 t -35.52 120.5 0.57 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.121 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.57 159.36 15.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.57 HG22 ' CG2' ' A' ' 35' ' ' VAL . 18.7 m -85.43 126.91 34.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -156.1 168.48 27.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.4 ' HB3' ' N ' ' A' ' 32' ' ' ASN . 8.0 t -57.41 167.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.585 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 28.0 tp -105.44 -9.5 17.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -111.01 -45.7 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 p -107.94 -7.68 16.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.4 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 51.8 t30 53.24 49.44 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.685 ' O ' HG13 ' A' ' 35' ' ' VAL . 10.5 ttpp -98.09 135.42 39.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -49.31 99.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 33' ' ' LYS . 34.5 m -100.84 -25.47 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 41.3 -114.61 0.63 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.519 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 p -92.98 -21.02 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.5 p -84.56 28.49 0.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.404 ' C ' ' CD1' ' A' ' 40' ' ' PHE . . . -94.08 -169.62 37.98 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.451 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.432 ' CE1' ' N ' ' A' ' 50' ' ' GLY . 8.2 m-85 -144.69 107.47 4.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -62.09 151.06 36.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.8 t -130.93 164.97 24.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -52.17 -26.28 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.0 p -79.6 12.44 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.83 29.12 58.26 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.41 ' CB ' HD22 ' A' ' 29' ' ' LEU . 2.6 m -116.28 165.72 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.56 HG22 HG21 ' A' ' 35' ' ' VAL . 8.8 m -112.79 124.72 53.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.099 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 4.4 m-85 -122.06 179.66 4.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.0 p -99.64 161.13 13.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.432 ' N ' ' CE1' ' A' ' 40' ' ' PHE . . . -44.44 -21.55 0.28 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.1 m -83.62 -52.93 6.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.1 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -100.62 32.19 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.401 ' HA ' ' HB2' ' A' ' 48' ' ' PHE . 8.5 ptm180 -73.86 -36.62 64.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -75.97 149.45 82.71 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.692 0.758 . . . . 0.0 110.946 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.574 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 53.6 Cg_endo -69.74 -35.52 12.55 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.718 2.279 . . . . 0.0 112.312 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.5 pm0 -72.08 -26.1 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 m -78.95 -32.74 45.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.574 ' CE1' ' HA ' ' A' ' 55' ' ' PRO . 4.6 p-80 -113.59 171.84 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -86.21 88.69 7.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.544 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 3.3 t -70.24 96.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -56.91 -46.99 81.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -44.34 138.37 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.28 119.74 14.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 15.9 m-85 -80.7 -54.79 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' GLY . 15.8 mmtt -130.36 81.32 2.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' LYS . . . 33.3 59.04 0.51 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.2 p -152.96 142.15 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 0.0 111.14 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.44 134.28 32.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 70' ' ' GLY . 5.6 m -84.9 92.71 8.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' SER . . . 34.03 68.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.506 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.89 29.44 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.335 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.95 151.69 23.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 t -64.03 -62.51 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.459 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 p -136.44 149.38 48.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 t -162.15 150.71 15.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.35 -161.86 10.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -138.83 139.98 38.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.822 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 m -82.44 177.34 8.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.07 -177.0 40.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.3 p -114.46 160.54 19.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.77 0.319 . . . . 0.0 111.111 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -44.31 -61.69 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.24 157.97 23.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.563 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.39 39.77 1.73 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -40.39 -54.51 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.328 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -81.96 123.11 28.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.37 108.71 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.58 ' HB1' HD13 ' A' ' 29' ' ' LEU . . . -103.22 78.71 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HB3' ' HB3' ' A' ' 20' ' ' PRO . . . -174.86 143.54 0.8 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.531 0.681 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 178.39 4.58 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.295 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -39.4 142.69 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 20.5 t0 59.01 55.02 5.22 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.606 0.717 . . . . 0.0 110.856 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.504 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.73 154.21 68.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.252 . . . . 0.0 112.326 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -165.59 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.728 2.285 . . . . 0.0 112.365 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -84.98 49.39 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.3 p -85.0 91.08 7.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 t -93.32 -19.45 21.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.191 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.36 165.7 10.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.817 HG22 HG23 ' A' ' 35' ' ' VAL . 16.3 m -81.26 115.41 20.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.595 ' HA ' HG22 ' A' ' 35' ' ' VAL . 62.9 mtt180 -144.78 159.73 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.3 t -45.51 169.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.58 HD13 ' HB1' ' A' ' 15' ' ' ALA . 21.9 tp -105.23 -16.55 14.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.3 m -108.38 -40.57 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 p -108.69 -1.46 19.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.9 m120 44.01 41.43 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.568 ' O ' HG13 ' A' ' 35' ' ' VAL . 77.1 tttt -92.25 141.59 28.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -50.73 105.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.817 HG23 HG22 ' A' ' 26' ' ' THR . 23.2 m -109.76 -14.91 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.585 ' O ' HG21 ' A' ' 26' ' ' THR . . . 35.12 -113.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.7 p -92.59 -31.19 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 0.0 111.115 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.3 p -60.25 -21.15 61.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.497 ' CA ' ' HB ' ' A' ' 35' ' ' VAL . . . -44.92 167.04 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -127.71 107.96 10.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -57.12 145.16 31.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.2 t -124.26 164.72 18.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -50.76 -26.92 6.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.9 p -81.69 13.76 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.16 25.04 56.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 m -109.77 167.0 10.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.95 0.405 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.6 m -112.19 128.7 56.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 29' ' ' LEU . 12.0 m-85 -125.77 176.67 6.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.4 p -100.23 161.58 13.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.01 -21.56 0.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.6 m -82.89 -50.57 8.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -103.77 31.22 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -76.35 -30.65 57.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -85.55 151.56 56.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.72 0.772 . . . . 0.0 110.913 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.431 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 54.5 Cg_endo -69.72 -49.48 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.686 2.257 . . . . 0.0 112.391 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -47.16 -34.32 6.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -77.36 -30.32 53.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.551 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 12.0 p-80 -127.78 114.99 17.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -49.5 92.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.541 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 5.2 t -60.4 112.49 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -61.57 -52.47 64.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -47.96 136.46 11.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -62.85 129.03 38.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.541 ' CE2' ' HB3' ' A' ' 60' ' ' CYS . 20.1 m-85 -80.54 171.37 15.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -50.58 67.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.09 42.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 67' ' ' VAL . 11.0 p -118.51 35.91 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.383 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.96 91.17 3.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.4 p -95.51 127.92 41.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -130.9 75.42 0.42 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -26.68 27.2 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.751 2.3 . . . . 0.0 112.323 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.7 p -123.53 153.91 39.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.8 m -59.91 160.56 7.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.514 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_