data_2ljt_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 2ljt _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 ' 16' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.839 0.352 . . . . 73.33 111.145 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -72.74 -50.82 22.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.915 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -63.61 -45.87 88.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 70.32 110.912 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.59 -34.29 85.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 71.43 112.45 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.92 -39.75 72.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 73.24 110.885 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.68 -33.71 75.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 73.01 111.113 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -68.21 -44.39 75.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 73.33 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -52.22 -56.06 17.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.03 110.87 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.91 -35.3 72.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.23 111.135 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.28 -33.66 83.19 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.723 -0.751 . . . . 74.11 112.528 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.66 -36.43 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 74.23 111.142 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -63.23 -39.96 96.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 75.42 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -37.18 80.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.874 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.19 -47.11 71.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.922 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 64.4 111.09 179.805 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.841 0.353 . . . . 73.22 111.096 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -72.76 -29.62 63.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 61.22 110.868 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -67.57 -54.92 15.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 72.44 110.93 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.46 -36.83 64.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.685 -0.769 . . . . 72.23 112.478 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -70.25 -44.22 68.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 73.34 110.853 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.09 -34.84 78.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 74.32 111.117 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.54 -51.5 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.884 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -53.74 -41.72 67.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.83 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.93 -58.21 9.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 75.3 111.121 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.58 -36.26 47.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 74.41 112.512 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.4 t -58.33 -32.17 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 75.23 111.139 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -63.22 -43.0 99.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.839 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -69.83 -37.71 76.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 71.32 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.95 -37.48 82.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.03 111.122 179.788 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.837 0.351 . . . . 74.1 111.116 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -72.75 -26.91 61.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 71.5 110.863 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -55.89 -49.69 72.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.906 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.91 -40.12 96.43 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.791 -0.719 . . . . 71.25 112.487 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -67.42 -41.63 84.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.338 . . . . 74.51 110.878 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.1 -32.1 73.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 64.03 111.062 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -64.65 -55.51 19.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 75.54 110.884 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 t -59.02 -31.92 69.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 62.41 110.879 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.7 93.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 75.45 111.095 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.83 -49.46 78.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.676 -0.774 . . . . 72.42 112.512 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.84 -38.71 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 74.31 111.155 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -63.68 -41.59 98.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 74.33 110.872 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -38.75 87.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 72.43 110.834 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.2 mt -62.03 -51.68 67.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 73.44 110.948 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 70.1 111.111 179.811 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.82 0.343 . . . . 75.22 111.103 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -70.39 -37.17 74.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 71.11 110.902 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -62.95 -51.5 66.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.893 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.33 -37.57 94.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 73.21 112.516 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.3 -39.93 81.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.856 0.36 . . . . 60.13 110.874 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.18 -31.37 71.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 75.15 111.101 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -67.9 -48.88 64.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 73.2 110.863 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 m -53.84 -41.21 67.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.02 110.838 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.47 78.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 73.22 111.099 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.52 -38.08 95.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 73.22 112.515 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.74 -37.11 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 72.12 111.115 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -63.41 -42.76 98.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 75.03 110.873 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -65.46 -42.12 92.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.918 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.45 -42.96 91.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 72.01 110.945 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 70.35 111.077 179.806 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.829 0.347 . . . . 74.15 111.138 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -65.57 -56.57 11.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.11 110.894 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -67.68 -43.1 80.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 75.32 110.907 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.62 -51.8 41.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 52.4 112.456 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.8 -43.6 95.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 72.12 110.905 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.65 -32.21 72.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.15 111.123 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -67.25 -55.98 11.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 72.12 110.897 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t -52.48 -48.08 66.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.886 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.03 67.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.51 . . . . 72.04 111.074 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.58 -29.55 71.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 61.32 112.456 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.4 t -58.8 -34.88 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 75.11 111.16 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -63.39 -41.88 98.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 72.52 110.855 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -67.03 -37.11 83.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 75.11 110.904 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.83 -37.14 81.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 73.53 110.948 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 53.12 111.108 179.838 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.826 0.346 . . . . 73.33 111.136 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -65.44 -41.55 93.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 63.14 110.88 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -56.49 -53.38 58.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 72.23 110.88 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.17 -36.8 57.62 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 72.43 112.472 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -71.02 -42.39 69.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 73.2 110.883 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.22 -41.43 85.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 71.44 111.062 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -54.69 -63.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 71.51 110.893 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 m -52.77 -37.14 59.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.05 110.864 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.79 -31.62 66.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 75.41 111.077 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.9 -41.41 14.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.767 -0.73 . . . . 54.52 112.472 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.1 t -57.21 -34.71 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 74.42 111.097 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -63.51 -40.35 96.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 73.52 110.843 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -69.69 -43.27 72.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.858 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.97 -28.56 69.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 65.23 110.897 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 44.44 111.047 179.829 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.806 0.336 . . . . 75.12 111.108 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -65.48 -38.47 89.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.45 110.927 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -55.5 -53.64 53.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.932 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.96 -36.05 50.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.729 . . . . 71.14 112.477 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -71.94 -48.3 46.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 72.11 110.909 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.86 84.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 54.1 111.078 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -54.6 -58.53 7.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 64.12 110.84 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -52.22 -38.09 56.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.881 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.53 97.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 70.13 111.108 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.44 -50.81 61.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 62.42 112.463 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.71 -38.07 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 74.33 111.144 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -64.06 -41.63 97.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 74.4 110.828 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -66.62 -45.88 77.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 65.25 110.891 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 mt -65.85 -29.39 69.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.912 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 63.02 111.119 179.806 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.872 0.368 . . . . 74.24 111.156 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -65.58 -42.87 91.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 73.33 110.9 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 24.9 t-105 -55.64 -53.25 58.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.944 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.8 -43.99 97.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.667 -0.778 . . . . 62.44 112.51 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -63.37 -44.67 94.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 72.14 110.889 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.22 -31.83 73.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 70.13 111.116 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -62.3 -63.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 71.35 110.859 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.0 m -58.73 -29.55 66.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.831 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.54 77.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 74.53 111.078 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.49 -42.05 99.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 75.41 112.444 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.7 t -56.46 -42.86 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.36 . . . . 73.2 111.176 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -63.21 -39.66 95.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 71.12 110.906 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -68.52 -38.45 80.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 75.4 110.824 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.0 mt -63.58 -47.33 81.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 73.2 110.902 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 75.34 111.139 179.769 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.813 0.34 . . . . 65.2 111.09 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -71.36 -39.51 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 70.3 110.908 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -60.69 -53.34 58.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 73.45 110.934 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.57 -38.78 52.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 74.12 112.489 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -68.83 -40.93 79.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 75.21 110.871 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.22 -38.83 85.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 73.12 111.09 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -62.96 -42.78 99.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.903 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -55.21 -46.8 75.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 62.44 110.827 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -44.44 92.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 70.13 111.116 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.26 -30.95 56.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 51.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.55 -38.32 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 73.02 111.145 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -65.57 -39.59 91.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.858 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.98 -39.24 79.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.834 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 mt -66.37 -35.22 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 74.54 110.919 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 72.34 111.1 179.771 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.783 0.325 . . . . 73.32 111.102 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -72.73 -26.58 61.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.951 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -67.6 -51.75 46.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 64.15 110.919 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.65 -41.58 95.77 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 63.45 112.484 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.54 -38.33 90.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 64.23 110.861 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.65 -35.3 78.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 64.33 111.079 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -67.22 -53.62 28.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 75.41 110.859 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -55.76 -41.13 73.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.872 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.16 -30.0 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 73.24 111.094 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.59 -40.9 31.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.711 -0.757 . . . . 75.04 112.437 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.8 t -55.83 -38.51 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 74.42 111.125 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -64.16 -39.61 94.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 62.42 110.838 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -69.18 -39.83 78.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 75.02 110.874 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.96 -39.18 93.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.93 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.34 111.144 179.783 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.849 0.357 . . . . 73.41 111.129 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -68.82 -51.05 44.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 62.22 110.902 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -55.36 -46.8 76.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.42 -48.4 86.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 62.45 112.486 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.78 -44.52 93.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 73.53 110.889 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.5 -38.68 91.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 74.02 111.077 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -58.07 -52.62 64.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.877 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.9 p -56.14 -46.01 79.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.837 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.26 -30.5 62.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 62.34 111.106 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.56 -38.33 61.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 61.1 112.511 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.27 -35.1 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 73.04 111.136 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -63.41 -42.97 98.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.879 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -67.44 -37.45 83.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.823 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.92 -47.51 86.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 72.2 110.913 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 73.52 111.131 179.764 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.458 -0.04 0 CA-C-O 120.823 0.344 . . . . 71.34 111.119 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -65.58 -48.92 70.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 74.1 110.895 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -61.89 -57.81 10.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 73.42 110.931 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.25 -41.85 54.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 63.25 112.523 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -65.99 -45.59 81.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.363 . . . . 71.53 110.919 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.28 -34.74 77.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 73.44 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -63.37 -49.73 72.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 73.53 110.92 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -55.54 -38.27 69.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 70.31 110.918 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.42 -56.33 22.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 75.53 111.053 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.81 -40.89 97.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.765 -0.731 . . . . 72.43 112.473 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.1 t -54.78 -32.21 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 75.23 111.126 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -63.18 -43.21 98.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 60.12 110.886 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -69.89 -27.1 64.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.871 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.16 -49.81 63.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.895 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.32 111.048 179.838 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.856 0.36 . . . . 75.41 111.158 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.37 -33.33 67.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 64.03 110.867 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -56.52 -58.6 7.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.906 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.48 -43.14 85.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 60.01 112.451 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.26 -46.26 87.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 75.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.68 -43.07 98.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 74.3 111.11 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -54.61 -59.1 5.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 74.21 110.891 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 p -56.38 -46.81 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 64.12 110.818 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.4 -29.16 63.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 53.3 111.112 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.88 -30.85 34.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 74.11 112.479 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.1 t -60.29 -33.04 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 74.44 111.097 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -63.71 -44.52 93.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.834 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -65.75 -39.79 91.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 73.24 110.871 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.33 -42.3 99.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.93 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 63.01 111.109 179.788 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.861 0.362 . . . . 73.11 111.15 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -72.72 -45.25 59.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.931 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -64.19 -47.91 77.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 75.11 110.9 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.34 -43.54 98.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 71.55 112.497 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -63.34 -44.3 95.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 75.53 110.88 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.68 81.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 74.33 111.079 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -61.66 -53.32 57.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 75.52 110.868 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.9 t -52.11 -34.16 42.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 71.31 110.847 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.29 91.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 61.24 111.134 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.91 -34.07 43.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 74.31 112.478 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.5 t -58.75 -38.16 70.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.881 0.372 . . . . 74.42 111.17 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -64.95 -40.57 95.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 64.51 110.865 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -68.42 -37.55 80.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 75.12 110.828 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.9 mt -66.98 -37.66 84.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 74.04 111.135 179.8 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.778 0.323 . . . . 72.44 111.098 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -69.78 -30.39 67.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.859 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -59.29 -48.32 82.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.94 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.23 -40.3 98.81 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.784 -0.722 . . . . 65.31 112.482 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.49 -43.34 85.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.856 0.36 . . . . 75.51 110.886 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.96 -35.07 79.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 72.32 111.132 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.25 -47.96 69.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 74.51 110.869 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m -59.24 -27.04 65.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 72.5 110.903 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.99 -52.16 61.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 60.24 111.127 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.38 -42.41 93.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 62.13 112.447 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.0 t -57.54 -34.05 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 75.33 111.118 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -64.09 -41.03 97.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.891 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -67.65 -47.71 68.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.25 110.888 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 mt -61.55 -30.08 70.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 72.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 71.11 111.108 179.816 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.821 0.344 . . . . 73.12 111.099 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -71.48 -27.83 63.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.875 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -57.84 -49.97 74.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.154 -0.476 . . . . 74.53 110.889 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.06 -42.95 98.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 72.33 112.474 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -65.58 -40.49 92.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.358 . . . . 72.44 110.889 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.24 86.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 64.22 111.127 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -64.41 -43.95 92.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 64.33 110.893 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -55.62 -37.03 67.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 71.01 110.821 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.23 -35.6 75.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.11 111.158 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.38 -49.34 20.46 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.717 -0.754 . . . . 71.25 112.452 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.5 t -57.39 -32.39 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.924 0.392 . . . . 74.43 111.151 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -63.33 -43.13 98.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 75.35 110.916 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -69.36 -26.52 64.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.41 110.885 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.57 -54.13 22.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 64.23 110.931 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 73.54 111.079 179.83 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.801 0.334 . . . . 74.43 111.112 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -71.42 -26.26 62.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 74.14 110.898 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 21.5 t-105 -61.46 -54.25 45.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.937 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.75 -41.66 90.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 63.1 112.473 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.35 -36.49 83.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 72.12 110.869 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.86 -31.79 71.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 73.44 111.108 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -68.34 -53.39 24.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.895 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 t -53.11 -29.03 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 73.21 110.853 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.77 59.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 60.33 111.116 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.15 -40.23 14.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 70.3 112.462 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.3 t -56.33 -34.02 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 72.43 111.127 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -64.6 -42.11 95.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 74.52 110.891 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -65.91 -36.28 82.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.845 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.3 -42.95 92.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.891 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 73.44 111.083 179.848 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.882 0.372 . . . . 73.42 111.12 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -65.5 -53.66 39.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 75.31 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -62.31 -53.63 52.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 71.22 110.924 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.58 -38.77 64.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.697 -0.763 . . . . 50.35 112.505 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -66.3 -42.79 87.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 74.24 110.86 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.66 81.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 75.11 111.106 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -68.12 -38.11 81.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 73.4 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 m -52.36 -31.71 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 73.52 110.831 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.35 -41.76 94.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 61.1 111.041 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.77 -44.02 57.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.779 -0.724 . . . . 71.32 112.467 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.3 t -54.85 -32.79 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 74.42 111.126 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -63.52 -43.51 96.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 75.04 110.854 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.3 ttp85 -65.23 -34.9 79.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 75.41 110.899 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mp -61.97 -51.09 69.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 73.15 111.147 179.742 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.862 0.363 . . . . 75.02 111.108 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -72.78 -26.3 61.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.93 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -58.48 -57.01 14.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 74.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.33 -42.61 74.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 75.14 112.485 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -63.62 -39.1 93.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 74.01 110.916 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.81 -33.05 74.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.0 111.088 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -61.17 -64.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 71.32 110.915 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 m -55.4 -26.59 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 75.1 110.847 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.88 -63.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 70.22 111.122 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.74 -31.37 73.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.763 . . . . 73.15 112.466 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.5 t -56.67 -31.89 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 73.24 111.12 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -63.22 -38.64 91.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.86 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -69.87 -37.49 76.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 72.22 110.857 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.7 -37.52 86.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 75.02 110.932 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 54.32 111.103 179.772 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.857 0.36 . . . . 74.14 111.173 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -69.54 -40.43 76.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 75.21 110.867 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -56.37 -53.46 57.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.474 . . . . 75.54 110.896 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.93 -41.51 59.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.793 -0.718 . . . . 63.22 112.478 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -66.55 -49.47 66.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 64.14 110.898 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.53 -35.65 76.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 72.22 111.141 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -62.89 -48.89 77.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.04 110.851 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.2 t -60.43 -30.61 69.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.863 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.54 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 64.24 111.09 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.66 -34.78 38.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 72.13 112.482 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.6 t -56.16 -32.46 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 72.14 111.153 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -64.86 -44.48 89.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 75.01 110.851 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -64.41 -36.71 85.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 74.2 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.65 -41.21 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 74.42 110.917 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 73.54 111.089 179.819 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.352 . . . . 75.43 110.905 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -84.1 80.77 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 75.33 110.936 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -86.86 52.21 2.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 70.13 110.934 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.92 178.65 21.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 71.33 112.457 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -70.93 -34.97 72.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 74.22 110.887 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.3 -20.79 3.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 74.24 112.502 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.4 m -66.97 -40.13 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 74.33 111.134 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -72.43 -28.85 63.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 64.44 110.915 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.14 -28.33 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.942 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.74 -61.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 71.04 111.136 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.64 -30.52 70.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.914 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.4 t -64.09 -67.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 70.43 110.87 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.79 60.82 0.28 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.788 -0.72 . . . . 71.41 112.512 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 pp -55.43 -30.09 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 74.5 110.895 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.5 m -71.59 -50.64 29.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 74.12 110.882 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.31 -25.14 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 73.33 111.145 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -72.74 -50.82 22.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.915 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -63.61 -45.87 88.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 70.32 110.912 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.59 -34.29 85.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 71.43 112.45 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.92 -39.75 72.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 73.24 110.885 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.68 -33.71 75.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 73.01 111.113 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -68.21 -44.39 75.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 73.33 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -52.22 -56.06 17.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.03 110.87 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.91 -35.3 72.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.23 111.135 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.28 -33.66 83.19 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.723 -0.751 . . . . 74.11 112.528 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.66 -36.43 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 74.23 111.142 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -63.23 -39.96 96.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 75.42 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -37.18 80.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.874 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.19 -47.11 71.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.922 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.83 80.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 64.4 111.09 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -89.82 64.17 6.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 70.32 110.852 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.89 -55.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 72.33 112.504 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.5 -86.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 61.32 112.508 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -93.38 168.08 11.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.884 0.373 . . . . 60.11 110.882 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.97 131.38 1.63 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.791 -0.719 . . . . 75.34 112.517 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -95.54 25.68 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 74.44 110.894 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.104 -0.498 . . . . 75.44 110.928 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.78 0.324 . . . . 74.11 110.867 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -80.66 150.5 29.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.908 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -84.02 76.89 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 75.2 110.944 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.93 110.57 3.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 72.13 112.497 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -76.07 88.33 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 63.54 110.896 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.1 81.6 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 61.51 112.493 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.99 -40.25 85.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.342 . . . . 74.22 111.101 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -72.5 -31.42 65.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 74.34 110.836 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -22.56 66.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.919 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.5 m -68.58 -62.2 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 75.1 111.123 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -69.45 -28.66 66.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 73.32 110.898 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.9 t -63.98 -25.08 67.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 75.45 110.863 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.95 59.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 74.53 112.503 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -55.35 -25.97 38.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 71.44 110.935 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.7 t -71.44 -54.75 9.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.45 110.836 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.2 p -69.53 -27.27 33.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 73.22 111.096 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -72.76 -29.62 63.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 61.22 110.868 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -67.57 -54.92 15.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 72.44 110.93 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.46 -36.83 64.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.685 -0.769 . . . . 72.23 112.478 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -70.25 -44.22 68.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 73.34 110.853 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.09 -34.84 78.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 74.32 111.117 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.54 -51.5 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.884 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -53.74 -41.72 67.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.83 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.93 -58.21 9.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 75.3 111.121 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.58 -36.26 47.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 74.41 112.512 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.4 t -58.33 -32.17 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 75.23 111.139 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -63.22 -43.0 99.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.839 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -69.83 -37.71 76.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 71.32 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.95 -37.48 82.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.16 -24.4 65.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.03 111.122 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -147.79 98.4 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 74.44 110.886 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.98 23.97 6.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 53.43 112.46 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.04 -35.62 3.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 73.33 112.519 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -88.02 168.13 13.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 73.23 110.867 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.96 78.9 0.22 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.677 -0.773 . . . . 53.42 112.477 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -93.13 -36.49 12.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 74.23 110.905 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 75.43 110.875 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.729 0.299 . . . . 65.45 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -152.17 157.24 41.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 65.35 110.954 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -86.67 -26.5 24.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 74.2 110.873 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.78 156.74 21.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.723 . . . . 63.51 112.484 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -161.96 88.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 72.15 110.872 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.98 81.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 75.44 112.488 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.8 m -67.0 -40.2 85.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 64.44 111.14 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -72.52 -31.41 65.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.86 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.52 -22.51 66.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.889 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.3 m -68.61 -62.18 1.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 62.02 111.116 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -69.47 -28.8 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.951 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m -63.91 -25.16 68.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.886 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.09 60.23 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.724 -0.751 . . . . 62.5 112.483 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -55.47 -25.83 38.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 74.24 110.896 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 p -71.37 -54.31 11.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 71.24 110.843 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.6 -28.62 38.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 74.1 111.116 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -72.75 -26.91 61.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 71.5 110.863 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -55.89 -49.69 72.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.906 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.91 -40.12 96.43 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.791 -0.719 . . . . 71.25 112.487 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -67.42 -41.63 84.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.338 . . . . 74.51 110.878 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.1 -32.1 73.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 64.03 111.062 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -64.65 -55.51 19.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 75.54 110.884 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 t -59.02 -31.92 69.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 62.41 110.879 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.7 93.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 75.45 111.095 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.83 -49.46 78.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.676 -0.774 . . . . 72.42 112.512 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.84 -38.71 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 74.31 111.155 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -63.68 -41.59 98.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 74.33 110.872 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -38.75 87.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 72.43 110.834 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.2 mt -62.03 -51.68 67.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 73.44 110.948 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.06 -50.95 71.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 70.1 111.111 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -90.28 81.48 6.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.905 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 153.83 -59.71 0.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 54.14 112.495 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.9 90.92 0.91 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.712 -0.756 . . . . 53.21 112.47 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -97.0 126.77 42.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 70.21 110.848 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.95 -62.25 2.95 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.797 -0.716 . . . . 73.41 112.505 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -86.55 90.65 8.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 74.13 110.891 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 75.13 110.943 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.809 0.338 . . . . 74.31 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 51.97 31.03 8.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 73.52 110.912 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -82.94 67.17 8.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 71.44 110.883 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.8 108.73 2.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 74.34 112.527 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -70.05 -41.67 73.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.857 0.361 . . . . 74.11 110.926 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 57.47 81.73 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.769 . . . . 75.13 112.539 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.95 -40.29 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.378 . . . . 73.3 111.117 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -72.48 -32.11 65.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.863 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.46 -22.71 66.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 72.51 110.915 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.4 m -68.63 -62.09 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 75.31 111.194 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -69.38 -28.09 65.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 74.3 110.888 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.3 t -63.99 -25.02 67.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.846 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.48 59.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 74.1 112.475 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -55.47 -25.85 39.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.77 0.319 . . . . 72.31 110.878 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.6 m -71.46 -55.61 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.864 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.49 -25.27 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 75.22 111.103 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -70.39 -37.17 74.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 71.11 110.902 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -62.95 -51.5 66.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.893 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.33 -37.57 94.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 73.21 112.516 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.3 -39.93 81.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.856 0.36 . . . . 60.13 110.874 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.18 -31.37 71.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 75.15 111.101 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -67.9 -48.88 64.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 73.2 110.863 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 m -53.84 -41.21 67.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.02 110.838 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.47 78.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 73.22 111.099 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.52 -38.08 95.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 73.22 112.515 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.74 -37.11 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 72.12 111.115 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -63.41 -42.76 98.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 75.03 110.873 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -65.46 -42.12 92.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.918 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.45 -42.96 91.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 72.01 110.945 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.27 78.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 70.35 111.077 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -82.98 68.51 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.2 110.885 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.51 -71.05 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.74 . . . . 53.04 112.526 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.49 -24.74 67.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 52.55 112.533 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -89.75 -53.5 4.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.864 0.364 . . . . 72.21 110.894 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.42 91.97 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 60.31 112.522 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -87.73 151.42 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 73.31 110.912 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 41.2 m95 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.924 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 40.3 tptt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.811 0.339 . . . . 75.42 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -84.73 94.21 8.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 75.44 110.905 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -87.97 -27.61 21.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 73.14 110.895 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.27 -127.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 74.1 112.476 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -76.35 67.55 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 72.41 110.888 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -112.57 -20.32 6.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 74.3 112.462 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.98 -40.23 85.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 73.51 111.139 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -72.49 -31.12 65.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 73.43 110.887 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.49 -22.6 66.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 72.03 110.919 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.2 m -68.6 -62.19 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 62.31 111.138 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -69.41 -28.18 65.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 73.25 110.888 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -63.97 -25.07 67.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 74.22 110.836 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.64 59.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 73.25 112.489 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -55.46 -25.82 38.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 74.24 110.937 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.5 t -71.49 -52.02 20.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 62.4 110.871 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.9 p -69.39 -25.54 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 74.15 111.138 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -65.57 -56.57 11.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.11 110.894 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -67.68 -43.1 80.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 75.32 110.907 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.62 -51.8 41.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 52.4 112.456 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.8 -43.6 95.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 72.12 110.905 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.65 -32.21 72.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.15 111.123 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -67.25 -55.98 11.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 72.12 110.897 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t -52.48 -48.08 66.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.886 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.03 67.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.51 . . . . 72.04 111.074 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.58 -29.55 71.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 61.32 112.456 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.4 t -58.8 -34.88 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 75.11 111.16 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -63.39 -41.88 98.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 72.52 110.855 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -67.03 -37.11 83.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 75.11 110.904 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.83 -37.14 81.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 73.53 110.948 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.43 -29.64 69.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 53.12 111.108 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -88.66 -39.28 14.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 75.54 110.897 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.5 120.15 3.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.805 -0.712 . . . . 64.04 112.474 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.88 80.84 1.56 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.743 . . . . 74.01 112.496 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -146.64 149.34 33.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 72.14 110.901 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.84 91.62 1.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.665 -0.779 . . . . 74.31 112.519 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -87.12 120.5 28.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 73.04 110.933 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.9 t90 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.929 -179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.781 0.324 . . . . 71.25 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -84.37 164.69 18.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 73.23 110.891 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -88.62 -56.32 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 72.24 110.907 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.53 -83.19 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.689 -0.767 . . . . 52.23 112.453 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -69.26 -66.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 74.22 110.881 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.22 -20.64 37.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 70.01 112.49 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.54 -40.08 85.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.369 . . . . 73.41 111.137 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -72.53 -32.33 66.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.851 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.41 -22.51 66.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 74.25 110.949 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.3 m -68.51 -62.23 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 65.41 111.158 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -69.56 -28.68 66.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 73.53 110.931 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.0 t -63.98 -24.8 67.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 72.02 110.812 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.6 60.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 72.33 112.503 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -55.61 -25.45 38.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 73.24 110.893 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.0 p -71.49 -51.78 21.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 72.35 110.883 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 p -69.37 -25.08 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 73.33 111.136 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -65.44 -41.55 93.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 63.14 110.88 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -56.49 -53.38 58.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 72.23 110.88 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.17 -36.8 57.62 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 72.43 112.472 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -71.02 -42.39 69.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 73.2 110.883 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.22 -41.43 85.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 71.44 111.062 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -54.69 -63.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 71.51 110.893 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 m -52.77 -37.14 59.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.05 110.864 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.79 -31.62 66.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 75.41 111.077 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.9 -41.41 14.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.767 -0.73 . . . . 54.52 112.472 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.1 t -57.21 -34.71 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 74.42 111.097 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -63.51 -40.35 96.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 73.52 110.843 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -69.69 -43.27 72.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.858 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.97 -28.56 69.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 65.23 110.897 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.92 92.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 44.44 111.047 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -84.94 76.95 10.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 74.55 110.889 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.43 65.26 2.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 70.03 112.516 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.63 54.33 0.78 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 71.1 112.487 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -93.94 139.46 30.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 73.35 110.913 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.81 151.49 18.29 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.697 -0.763 . . . . 61.41 112.5 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -149.67 150.19 31.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.352 . . . . 73.23 110.894 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 94.3 m95 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.188 -0.46 . . . . 72.53 110.948 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.3 tttt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.802 0.335 . . . . 73.0 110.924 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -83.66 80.07 9.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 62.14 110.936 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -88.41 69.29 8.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 71.44 110.91 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.44 165.57 28.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 73.34 112.529 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -71.58 -39.36 70.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 73.45 110.919 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.28 -21.04 0.56 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 71.11 112.449 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.9 m -66.55 -39.96 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 72.12 111.152 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 -72.57 -31.44 65.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.31 110.81 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.44 -22.5 66.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 75.31 110.903 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.4 m -68.6 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 74.23 111.137 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.53 -28.7 66.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 74.52 110.877 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.5 m -63.87 -24.44 67.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 72.41 110.889 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.97 60.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.72 -0.753 . . . . 63.34 112.478 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -55.6 -25.46 38.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.739 0.304 . . . . 64.44 110.888 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 p -71.46 -51.97 20.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 75.14 110.86 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.36 -25.24 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 75.12 111.108 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -65.48 -38.47 89.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.45 110.927 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -55.5 -53.64 53.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.932 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.96 -36.05 50.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.729 . . . . 71.14 112.477 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -71.94 -48.3 46.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 72.11 110.909 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.86 84.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 54.1 111.078 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -54.6 -58.53 7.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 64.12 110.84 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -52.22 -38.09 56.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.881 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.53 97.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 70.13 111.108 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.44 -50.81 61.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 62.42 112.463 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.71 -38.07 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 74.33 111.144 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -64.06 -41.63 97.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 74.4 110.828 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -66.62 -45.88 77.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 65.25 110.891 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 mt -65.85 -29.39 69.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.912 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.84 84.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 63.02 111.119 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -85.02 -61.16 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 71.54 110.858 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.22 82.94 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.762 -0.732 . . . . 62.03 112.471 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.24 97.47 1.26 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.741 . . . . 64.44 112.473 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -89.57 88.39 7.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 75.33 110.891 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.44 -161.74 9.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 71.24 112.442 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -90.19 174.67 7.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 74.01 110.912 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.2 t-105 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 71.42 110.886 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.825 0.345 . . . . 71.33 110.89 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -152.79 127.01 9.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.897 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 56.74 41.74 27.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 75.13 110.919 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.07 -139.95 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 74.33 112.505 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -69.14 -74.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.861 0.362 . . . . 74.23 110.891 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.03 -19.75 47.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 60.31 112.483 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.4 m -66.93 -40.14 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 73.11 111.115 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -72.53 -34.71 67.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 73.51 110.836 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.47 -22.61 66.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 65.23 110.877 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 m -68.57 -62.16 1.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 64.11 111.15 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -69.42 -28.7 66.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.886 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.6 t -63.92 -24.08 67.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 74.41 110.838 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.6 60.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 65.23 112.501 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -55.63 -25.41 38.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 72.34 110.893 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 t -71.51 -51.96 20.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.03 110.808 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.6 p -69.34 -25.23 28.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.24 111.156 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -65.58 -42.87 91.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 73.33 110.9 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 24.9 t-105 -55.64 -53.25 58.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.944 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.8 -43.99 97.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.667 -0.778 . . . . 62.44 112.51 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -63.37 -44.67 94.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 72.14 110.889 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.22 -31.83 73.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 70.13 111.116 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -62.3 -63.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 71.35 110.859 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.0 m -58.73 -29.55 66.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.831 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.54 77.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 74.53 111.078 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.49 -42.05 99.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 75.41 112.444 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.7 t -56.46 -42.86 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.36 . . . . 73.2 111.176 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -63.21 -39.66 95.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 71.12 110.906 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -68.52 -38.45 80.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 75.4 110.824 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.0 mt -63.58 -47.33 81.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 73.2 110.902 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.75 -50.78 69.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 75.34 111.139 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -85.01 74.95 10.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 61.44 110.866 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.86 -26.46 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 75.42 112.497 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.66 73.37 1.21 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 73.23 112.485 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -96.42 -56.86 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 74.23 110.922 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.55 -118.48 1.37 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 62.21 112.491 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -144.79 173.08 12.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 71.01 110.858 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 27.5 t90 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.89 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 72.25 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -83.16 90.47 7.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 73.55 110.939 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -155.93 109.21 2.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 74.01 110.907 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.48 156.64 7.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 72.22 112.477 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -70.48 -26.18 63.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 74.25 110.874 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.45 -20.2 1.87 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 62.23 112.503 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.3 m -66.93 -40.24 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 74.42 111.091 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -72.52 -31.65 65.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.844 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.46 -22.88 66.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 75.44 110.922 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.0 m -68.61 -62.07 1.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 72.11 111.154 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -27.45 65.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 73.35 110.908 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 t -63.91 -23.9 67.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.856 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.66 59.07 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.762 -0.732 . . . . 75.33 112.477 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -55.8 -24.97 39.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 74.32 110.879 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.2 m -71.46 -52.0 20.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.855 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.7 p -69.37 -25.24 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 65.2 111.09 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -71.36 -39.51 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 70.3 110.908 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -60.69 -53.34 58.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 73.45 110.934 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.57 -38.78 52.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 74.12 112.489 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -68.83 -40.93 79.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 75.21 110.871 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.22 -38.83 85.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 73.12 111.09 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -62.96 -42.78 99.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.903 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -55.21 -46.8 75.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 62.44 110.827 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -44.44 92.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 70.13 111.116 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.26 -30.95 56.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 51.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.55 -38.32 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 73.02 111.145 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -65.57 -39.59 91.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.858 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.98 -39.24 79.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.834 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 mt -66.37 -35.22 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 74.54 110.919 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.25 -35.32 75.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 72.34 111.1 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -86.76 -33.11 20.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.831 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -93.8 -121.62 3.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 74.13 112.462 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.74 65.57 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 74.22 112.498 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -148.76 158.8 44.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 74.34 110.899 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.38 131.48 3.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 72.25 112.479 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -90.62 -70.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 71.2 110.918 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.1 t90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.956 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.848 0.356 . . . . 74.01 110.938 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -158.12 133.8 9.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.45 110.909 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -81.7 81.04 7.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 73.42 110.96 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.74 -113.15 0.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 62.42 112.472 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -76.32 77.93 3.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 74.34 110.888 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -109.96 -21.68 6.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 65.1 112.472 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.2 m -66.97 -40.27 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 75.32 111.102 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -72.52 -31.64 65.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 74.3 110.844 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.44 -23.98 67.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.892 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.5 m -68.65 -62.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 72.22 111.139 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -68.12 -28.27 67.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.41 110.943 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.9 m -64.01 -54.58 32.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 64.31 110.875 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.32 60.09 0.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 65.42 112.517 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -55.54 -25.62 38.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 71.04 110.888 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 t -71.57 -54.58 10.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 71.14 110.836 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.4 -29.73 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.32 111.102 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -72.73 -26.58 61.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.951 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -67.6 -51.75 46.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 64.15 110.919 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.65 -41.58 95.77 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 63.45 112.484 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.54 -38.33 90.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 64.23 110.861 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.65 -35.3 78.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 64.33 111.079 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -67.22 -53.62 28.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 75.41 110.859 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -55.76 -41.13 73.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.872 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.16 -30.0 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 73.24 111.094 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.59 -40.9 31.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.711 -0.757 . . . . 75.04 112.437 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.8 t -55.83 -38.51 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 74.42 111.125 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -64.16 -39.61 94.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 62.42 110.838 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -69.18 -39.83 78.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 75.02 110.874 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.96 -39.18 93.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.93 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.76 -33.65 71.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.34 111.144 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -85.67 -69.32 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 74.42 110.919 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.67 -104.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 61.34 112.487 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.22 -86.64 0.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.784 -0.722 . . . . 71.32 112.496 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -92.56 -37.64 12.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 72.52 110.862 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.13 44.44 3.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 72.42 112.503 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -94.1 -31.12 14.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.351 . . . . 72.44 110.881 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 26.9 t90 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.119 -0.491 . . . . 72.01 110.927 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.8 tptm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.764 0.316 . . . . 72.41 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 52.84 41.33 31.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 73.52 110.936 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -85.01 -36.66 21.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 71.02 110.889 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.95 -68.08 0.36 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 71.34 112.458 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -73.39 80.81 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 72.31 110.935 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.2 80.88 0.85 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 55.41 112.501 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.4 m -66.61 -39.96 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 71.42 111.113 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -72.66 -31.7 65.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.857 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.78 -22.7 66.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 73.33 110.935 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.8 m -68.62 -62.13 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 70.1 111.157 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -69.33 -27.81 65.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 75.22 110.897 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.5 t -63.95 -24.99 67.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 71.25 110.84 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.26 59.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 63.34 112.485 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -55.49 -25.74 38.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 73.31 110.919 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.7 m -71.42 -52.15 20.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 71.54 110.886 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.1 p -69.48 -25.48 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 73.41 111.129 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -68.82 -51.05 44.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 62.22 110.902 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -55.36 -46.8 76.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.42 -48.4 86.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 62.45 112.486 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.78 -44.52 93.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 73.53 110.889 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.5 -38.68 91.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 74.02 111.077 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -58.07 -52.62 64.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.877 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.9 p -56.14 -46.01 79.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.837 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.26 -30.5 62.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 62.34 111.106 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.56 -38.33 61.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 61.1 112.511 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.27 -35.1 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 73.04 111.136 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -63.41 -42.97 98.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.879 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -67.44 -37.45 83.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.823 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.92 -47.51 86.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 72.2 110.913 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.33 96.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 73.52 111.131 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -89.81 69.04 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.884 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.24 -68.4 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.73 . . . . 52.51 112.499 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.39 27.62 9.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 65.5 112.487 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -88.83 67.51 8.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.794 0.33 . . . . 74.44 110.86 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.82 -78.35 0.38 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 73.24 112.472 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -93.44 124.7 37.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 75.33 110.889 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 73.22 110.94 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.815 0.34 . . . . 61.12 110.913 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -80.42 177.59 8.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.899 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -152.17 115.06 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 73.52 110.9 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.21 -169.58 18.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.72 -0.752 . . . . 74.5 112.521 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -73.24 -27.29 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 74.01 110.869 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 129.16 -19.72 5.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 70.01 112.475 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.02 -40.29 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 72.33 111.119 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -72.45 -31.82 65.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 62.32 110.87 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.49 -22.65 66.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.21 110.939 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.4 m -68.63 -62.12 1.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 72.54 111.176 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -28.06 65.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 72.53 110.924 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.6 t -63.98 -25.04 67.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.853 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.44 59.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 74.3 112.509 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -55.45 -25.83 38.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 64.21 110.902 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -71.47 -52.53 17.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 75.44 110.882 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.6 p -69.46 -25.07 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 71.34 111.119 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -65.58 -48.92 70.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 74.1 110.895 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -61.89 -57.81 10.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 73.42 110.931 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.25 -41.85 54.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 63.25 112.523 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -65.99 -45.59 81.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.363 . . . . 71.53 110.919 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.28 -34.74 77.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 73.44 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -63.37 -49.73 72.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 73.53 110.92 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -55.54 -38.27 69.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 70.31 110.918 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.42 -56.33 22.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 75.53 111.053 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.81 -40.89 97.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.765 -0.731 . . . . 72.43 112.473 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.1 t -54.78 -32.21 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 75.23 111.126 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -63.18 -43.21 98.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 60.12 110.886 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -69.89 -27.1 64.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.871 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.16 -49.81 63.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.895 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.47 -26.86 68.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.32 111.048 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -82.78 -64.05 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 70.1 110.91 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.32 58.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 74.52 112.468 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.63 -31.25 27.61 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.798 -0.715 . . . . 73.43 112.491 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -90.3 -62.34 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 75.01 110.905 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.98 -107.81 0.29 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 63.23 112.492 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -89.47 104.39 16.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 72.52 110.862 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.0 t90 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 74.45 110.963 -179.915 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.741 0.305 . . . . 74.31 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -79.68 165.54 22.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 72.31 110.942 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -149.67 108.6 3.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 72.23 110.969 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.55 132.66 7.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 72.21 112.489 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -69.36 -26.18 64.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 72.21 110.884 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.54 -19.68 3.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.794 -0.717 . . . . 43.43 112.515 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.95 -40.3 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 71.21 111.17 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -72.48 -31.45 65.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.89 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.52 -23.01 66.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 74.05 110.896 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 m -68.66 -62.11 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 70.31 111.147 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -69.3 -26.89 64.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.05 110.878 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 m -64.04 -24.84 67.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 74.34 110.866 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.62 58.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 75.44 112.493 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -55.51 -25.55 37.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.789 0.328 . . . . 73.13 110.9 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 p -71.41 -52.11 20.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 64.33 110.895 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.7 p -69.33 -25.54 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.41 111.158 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.37 -33.33 67.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 64.03 110.867 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -56.52 -58.6 7.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.906 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.48 -43.14 85.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 60.01 112.451 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.26 -46.26 87.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 75.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.68 -43.07 98.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 74.3 111.11 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -54.61 -59.1 5.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 74.21 110.891 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 p -56.38 -46.81 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 64.12 110.818 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.4 -29.16 63.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 53.3 111.112 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.88 -30.85 34.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 74.11 112.479 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.1 t -60.29 -33.04 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 74.44 111.097 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -63.71 -44.52 93.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.834 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -65.75 -39.79 91.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 73.24 110.871 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.33 -42.3 99.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.93 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.14 -35.34 75.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 63.01 111.109 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -85.92 56.07 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 71.43 110.844 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 178.48 -70.51 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 61.34 112.448 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.67 75.96 2.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 64.22 112.496 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -148.32 127.4 12.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.34 . . . . 75.41 110.902 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.32 -127.5 0.71 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.669 -0.777 . . . . 70.23 112.466 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -145.9 136.79 24.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 74.02 110.855 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.0 m0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.877 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.791 0.329 . . . . 73.44 110.895 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -154.56 136.84 14.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 75.1 110.895 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -84.79 -64.16 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 73.43 110.941 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.45 164.86 30.04 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.758 . . . . 72.21 112.489 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -70.7 -26.99 63.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 75.44 110.92 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 129.28 -20.47 5.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 74.12 112.494 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.7 m -66.93 -40.24 85.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 74.31 111.15 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -72.49 -31.1 65.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.892 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -22.47 66.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 75.53 110.936 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.9 m -68.59 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 75.51 111.159 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -69.53 -28.99 66.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 73.5 110.879 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.2 t -63.89 -25.18 68.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 75.33 110.869 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.19 60.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 73.4 112.448 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -55.46 -25.87 38.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.34 . . . . 75.34 110.904 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.5 t -71.48 -54.59 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.831 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.1 p -69.37 -29.43 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 73.11 111.15 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -72.72 -45.25 59.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.931 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -64.19 -47.91 77.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 75.11 110.9 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.34 -43.54 98.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 71.55 112.497 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -63.34 -44.3 95.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 75.53 110.88 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.68 81.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 74.33 111.079 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -61.66 -53.32 57.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 75.52 110.868 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.9 t -52.11 -34.16 42.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 71.31 110.847 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.29 91.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 61.24 111.134 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.91 -34.07 43.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 74.31 112.478 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.5 t -58.75 -38.16 70.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.881 0.372 . . . . 74.42 111.17 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -64.95 -40.57 95.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 64.51 110.865 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -68.42 -37.55 80.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 75.12 110.828 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.9 mt -66.98 -37.66 84.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 -32.63 74.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 74.04 111.135 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -88.55 83.79 6.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 74.3 110.927 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 131.97 -26.22 3.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 74.55 112.506 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.51 90.91 0.6 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.758 . . . . 63.04 112.456 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -92.78 -34.09 14.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 74.14 110.883 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.55 -152.49 5.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 75.45 112.471 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 60.89 33.22 19.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 75.3 110.899 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.4 t90 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 71.12 110.932 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.5 tptm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.773 0.321 . . . . 73.53 110.899 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -84.35 106.93 16.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 72.51 110.942 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -81.07 -35.84 31.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 75.52 110.905 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.34 -44.75 0.11 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.746 . . . . 71.42 112.489 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -73.88 76.78 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 75.55 110.899 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.93 81.33 0.8 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 72.51 112.504 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.3 m -66.54 -39.93 85.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 75.41 111.163 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -72.6 -30.84 64.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.855 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.16 -22.47 66.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 75.02 110.905 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 m -68.63 -62.1 1.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 70.32 111.131 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -69.12 -25.6 64.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.926 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -64.03 -25.31 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.3 110.842 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.42 57.02 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 62.14 112.439 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -56.08 -21.84 24.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.901 0.381 . . . . 75.03 110.93 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 m -63.54 -19.5 64.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 60.25 110.893 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.29 -21.9 25.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.09 -0.504 . . . . 72.44 111.098 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -69.78 -30.39 67.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.859 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -59.29 -48.32 82.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.94 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.23 -40.3 98.81 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.784 -0.722 . . . . 65.31 112.482 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.49 -43.34 85.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.856 0.36 . . . . 75.51 110.886 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.96 -35.07 79.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 72.32 111.132 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.25 -47.96 69.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 74.51 110.869 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m -59.24 -27.04 65.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 72.5 110.903 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.99 -52.16 61.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 60.24 111.127 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.38 -42.41 93.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 62.13 112.447 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.0 t -57.54 -34.05 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 75.33 111.118 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -64.09 -41.03 97.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.891 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -67.65 -47.71 68.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.25 110.888 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 mt -61.55 -30.08 70.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 72.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.86 70.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 71.11 111.108 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -85.18 -42.87 14.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 73.45 110.885 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -88.27 -89.33 1.13 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 50.44 112.452 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.82 32.94 35.17 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 72.34 112.487 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -94.22 97.07 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 64.33 110.862 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 172.06 -121.03 0.86 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 72.21 112.491 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -87.97 -35.84 17.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 75.03 110.895 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 89.4 m95 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 71.55 110.96 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.813 0.34 . . . . 71.45 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -85.73 131.16 34.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 73.21 110.898 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -86.63 52.6 2.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 75.32 110.983 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.69 -128.05 9.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.719 . . . . 63.13 112.486 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -76.36 -70.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 73.15 110.886 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.37 81.53 1.6 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.693 -0.765 . . . . 44.34 112.485 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.4 m -66.95 -40.23 85.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 73.34 111.141 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -72.55 -30.59 64.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 75.13 110.866 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.31 -23.14 67.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.92 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 m -68.58 -62.14 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 75.42 111.159 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -69.19 -25.62 64.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 73.01 110.889 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -64.05 -25.23 68.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 64.43 110.871 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.37 57.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 44.34 112.448 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -56.19 -21.71 24.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 73.53 110.924 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.9 p -63.66 -19.35 64.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 64.44 110.875 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.36 -21.84 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 73.12 111.099 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -71.48 -27.83 63.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.875 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -57.84 -49.97 74.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.154 -0.476 . . . . 74.53 110.889 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.06 -42.95 98.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 72.33 112.474 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -65.58 -40.49 92.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.358 . . . . 72.44 110.889 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.24 86.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 64.22 111.127 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -64.41 -43.95 92.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 64.33 110.893 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -55.62 -37.03 67.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 71.01 110.821 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.23 -35.6 75.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.11 111.158 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.38 -49.34 20.46 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.717 -0.754 . . . . 71.25 112.452 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.5 t -57.39 -32.39 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.924 0.392 . . . . 74.43 111.151 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -63.33 -43.13 98.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 75.35 110.916 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -69.36 -26.52 64.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.41 110.885 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.57 -54.13 22.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 64.23 110.931 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.47 -25.38 65.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 73.54 111.079 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -83.65 -43.71 15.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.874 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 156.49 119.06 0.6 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 53.02 112.481 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.54 76.27 0.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 75.31 112.502 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -142.99 105.6 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 62.54 110.884 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -155.91 -148.82 5.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 74.14 112.459 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -87.28 145.55 26.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.878 0.371 . . . . 75.45 110.873 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.2 t90 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 75.3 110.953 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.3 tttp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.831 0.348 . . . . 74.23 110.863 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -85.88 57.46 4.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.927 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -153.92 114.68 4.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 75.04 110.95 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.82 -103.92 0.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 72.54 112.531 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 49.45 38.2 13.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.923 0.392 . . . . 74.33 110.89 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.94 81.08 1.3 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 64.22 112.488 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.8 m -66.96 -40.24 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 74.11 111.087 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -72.45 -31.59 65.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.875 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.49 -22.49 66.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 65.44 110.886 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.2 m -68.67 -62.09 1.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 63.43 111.139 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -69.52 -28.69 66.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.851 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.2 m -63.95 -24.94 67.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 71.35 110.884 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.81 60.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 55.23 112.489 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -55.33 -25.95 37.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 74.24 110.937 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 98.1 p -71.46 -54.13 11.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.816 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 p -69.38 -29.37 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 74.43 111.112 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -71.42 -26.26 62.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 74.14 110.898 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 21.5 t-105 -61.46 -54.25 45.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.937 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.75 -41.66 90.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 63.1 112.473 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.35 -36.49 83.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 72.12 110.869 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.86 -31.79 71.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 73.44 111.108 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -68.34 -53.39 24.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.895 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 t -53.11 -29.03 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 73.21 110.853 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.77 59.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 60.33 111.116 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.15 -40.23 14.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 70.3 112.462 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.3 t -56.33 -34.02 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 72.43 111.127 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -64.6 -42.11 95.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 74.52 110.891 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -65.91 -36.28 82.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.845 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.3 -42.95 92.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.891 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.92 -25.83 68.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 73.44 111.083 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -83.71 -26.45 29.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 71.34 110.873 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.56 122.73 4.24 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.691 -0.766 . . . . 64.04 112.483 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.66 -71.85 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.778 -0.725 . . . . 44.11 112.513 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -96.67 68.51 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 74.12 110.848 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -102.41 98.41 1.7 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 73.22 112.469 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -90.87 -34.64 15.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 73.42 110.863 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 68.5 p-90 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.92 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.746 0.308 . . . . 64.41 110.886 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -85.52 144.03 28.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.262 -0.426 . . . . 73.43 110.912 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -149.68 104.1 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 75.11 110.896 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.62 -150.83 22.26 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 72.01 112.47 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 49.41 55.72 8.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.855 0.36 . . . . 72.42 110.887 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.02 82.41 0.42 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.743 . . . . 62.32 112.493 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.0 m -66.73 -39.88 84.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 73.14 111.129 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -72.64 -32.27 65.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.83 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.94 -22.17 66.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 74.55 110.92 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.8 m -68.61 -62.19 1.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 74.3 111.153 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -69.54 -28.84 66.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.902 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.1 t -63.86 -24.83 67.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 75.22 110.856 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.64 60.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 64.22 112.468 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -55.67 -25.35 39.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 75.21 110.888 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.9 p -71.46 -51.77 22.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 73.51 110.891 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.34 -25.08 28.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 73.42 111.12 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -65.5 -53.66 39.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 75.31 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -62.31 -53.63 52.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 71.22 110.924 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.58 -38.77 64.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.697 -0.763 . . . . 50.35 112.505 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -66.3 -42.79 87.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 74.24 110.86 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.66 81.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 75.11 111.106 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -68.12 -38.11 81.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 73.4 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 m -52.36 -31.71 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 73.52 110.831 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.35 -41.76 94.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 61.1 111.041 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.77 -44.02 57.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.779 -0.724 . . . . 71.32 112.467 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.3 t -54.85 -32.79 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 74.42 111.126 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -63.52 -43.51 96.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 75.04 110.854 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.3 ttp85 -65.23 -34.9 79.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 75.41 110.899 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mp -61.97 -51.09 69.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.98 -58.13 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 73.15 111.147 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -82.71 64.76 7.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.942 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.65 -116.74 0.38 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.746 . . . . 73.21 112.509 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.99 79.9 1.78 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 74.44 112.531 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -142.4 136.53 29.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 70.3 110.915 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.97 25.01 15.06 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.724 -0.75 . . . . 74.24 112.491 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -89.89 105.01 17.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 75.23 110.873 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 71.23 110.969 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.783 0.325 . . . . 74.24 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -80.72 79.92 7.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 75.54 110.878 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -150.35 110.75 4.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 72.24 110.924 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.9 111.31 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.767 . . . . 60.03 112.446 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -161.86 83.97 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.348 . . . . 74.32 110.886 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.88 -20.84 41.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 72.05 112.482 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.7 -40.0 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 74.44 111.141 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -72.57 -28.79 63.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 74.25 110.807 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.71 -28.64 67.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 75.13 110.901 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.0 m -68.69 -61.98 1.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 75.53 111.186 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -61.55 -31.23 71.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 75.2 110.886 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.5 t -64.13 -67.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 65.43 110.819 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.1 61.5 0.29 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 75.54 112.482 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 pp -55.3 -28.72 55.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 73.03 110.924 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.5 t -71.41 -51.55 23.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 71.43 110.87 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.2 p -69.33 -27.92 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 75.02 111.108 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -72.78 -26.3 61.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.93 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -58.48 -57.01 14.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 74.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.33 -42.61 74.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 75.14 112.485 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -63.62 -39.1 93.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 74.01 110.916 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.81 -33.05 74.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.0 111.088 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -61.17 -64.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 71.32 110.915 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 m -55.4 -26.59 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 75.1 110.847 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.88 -63.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 70.22 111.122 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.74 -31.37 73.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.763 . . . . 73.15 112.466 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.5 t -56.67 -31.89 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 73.24 111.12 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -63.22 -38.64 91.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.86 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -69.87 -37.49 76.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 72.22 110.857 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.7 -37.52 86.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 75.02 110.932 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.42 -25.22 66.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 54.32 111.103 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -82.34 79.66 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 75.35 110.914 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 129.99 -39.41 1.82 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 75.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.47 -19.54 77.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 74.41 112.498 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 60.88 31.0 19.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 63.45 110.886 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -111.67 81.83 0.29 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.723 . . . . 72.34 112.484 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -86.45 83.52 7.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 73.32 110.833 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.3 m95 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 73.41 110.931 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.774 0.321 . . . . 75.12 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -84.57 171.48 12.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.4 110.894 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -153.17 120.4 5.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 74.3 110.931 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.95 26.82 14.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 72.44 112.515 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -69.64 85.17 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 73.23 110.82 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.53 80.74 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 72.42 112.475 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.9 m -66.58 -39.99 85.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.885 0.374 . . . . 64.11 111.145 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -72.67 -30.75 64.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 72.51 110.846 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.91 -23.23 67.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 75.3 110.921 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.9 m -68.73 -61.87 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 75.31 111.139 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -68.73 -28.82 67.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 75.4 110.899 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.6 t -64.2 -26.09 68.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 74.04 110.832 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 150.09 60.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.689 -0.767 . . . . 72.12 112.459 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 pp -56.71 -20.94 24.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.343 . . . . 74.03 110.914 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m -63.18 -26.97 69.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 61.12 110.846 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.1 p -69.35 -21.99 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 74.14 111.173 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -69.54 -40.43 76.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 75.21 110.867 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -56.37 -53.46 57.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.474 . . . . 75.54 110.896 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.93 -41.51 59.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.793 -0.718 . . . . 63.22 112.478 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -66.55 -49.47 66.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 64.14 110.898 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.53 -35.65 76.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 72.22 111.141 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -62.89 -48.89 77.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.04 110.851 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.2 t -60.43 -30.61 69.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.863 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.54 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 64.24 111.09 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.66 -34.78 38.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 72.13 112.482 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.6 t -56.16 -32.46 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 72.14 111.153 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -64.86 -44.48 89.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 75.01 110.851 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -64.41 -36.71 85.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 74.2 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.65 -41.21 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 74.42 110.917 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.56 78.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 73.54 111.089 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -83.94 -68.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.865 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -109.2 81.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.674 -0.774 . . . . 61.4 112.452 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.46 -72.51 1.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.785 -0.722 . . . . 63.14 112.481 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -144.01 105.63 4.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.852 0.358 . . . . 65.31 110.902 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.92 -101.92 0.65 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 34.55 112.495 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -90.8 -28.72 18.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 74.4 110.862 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.0 t90 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 73.5 110.855 -179.89 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.839 0.352 . . . . 62.11 111.145 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -72.74 -50.82 22.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.915 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -63.61 -45.87 88.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 64.23 110.912 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.59 -34.29 85.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 71.43 112.45 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.92 -39.75 72.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 73.24 110.885 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.68 -33.71 75.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 73.01 111.113 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.647 ' O ' HG23 ' A' ' 26' ' ' VAL . 24.0 t80 -68.21 -44.39 75.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 65.34 110.891 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -52.22 -56.06 17.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.03 110.87 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.91 -35.3 72.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.23 111.135 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.28 -33.66 83.19 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.723 -0.751 . . . . 74.11 112.528 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 22' ' ' PHE . 57.4 t -56.66 -36.43 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 74.23 111.142 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -63.23 -39.96 96.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 52.14 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -37.18 80.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 70.51 110.874 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.19 -47.11 71.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.922 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 62.42 111.09 179.805 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.841 0.353 . . . . 73.22 111.096 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -72.76 -29.62 63.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 61.22 110.868 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -67.57 -54.92 15.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 72.44 110.93 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.46 -36.83 64.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.685 -0.769 . . . . 72.23 112.478 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -70.25 -44.22 68.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 61.02 110.853 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.09 -34.84 78.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 74.32 111.117 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.6 t80 -59.54 -51.5 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.884 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -53.74 -41.72 67.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.83 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.93 -58.21 9.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 75.3 111.121 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.58 -36.26 47.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 74.41 112.512 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 22' ' ' PHE . 91.4 t -58.33 -32.17 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 71.24 111.139 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -63.22 -43.0 99.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.839 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -69.83 -37.71 76.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 71.05 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 29' ' ' LEU . 13.2 mt -60.95 -37.48 82.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 64.32 110.861 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 64.21 111.122 179.788 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.837 0.351 . . . . 55.44 111.116 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -72.75 -26.91 61.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 71.5 110.863 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -55.89 -49.69 72.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.906 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.91 -40.12 96.43 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.791 -0.719 . . . . 64.32 112.487 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -67.42 -41.63 84.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.338 . . . . 53.11 110.878 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.1 -32.1 73.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 60.51 111.062 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -64.65 -55.51 19.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 75.54 110.884 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 t -59.02 -31.92 69.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 62.41 110.879 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.7 93.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 52.13 111.095 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.83 -49.46 78.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.676 -0.774 . . . . 71.42 112.512 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.84 -38.71 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 74.31 111.155 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -63.68 -41.59 98.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 72.02 110.872 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -38.75 87.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 71.33 110.834 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.2 mt -62.03 -51.68 67.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 73.44 110.948 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 70.1 111.111 179.811 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.82 0.343 . . . . 64.54 111.103 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -70.39 -37.17 74.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 64.25 110.902 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -62.95 -51.5 66.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.893 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.33 -37.57 94.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 73.21 112.516 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.3 -39.93 81.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.856 0.36 . . . . 60.13 110.874 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.18 -31.37 71.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 52.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -67.9 -48.88 64.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 73.2 110.863 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 m -53.84 -41.21 67.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.02 110.838 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.47 78.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 73.22 111.099 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.52 -38.08 95.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 73.22 112.515 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.74 -37.11 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 60.31 111.115 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -63.41 -42.76 98.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 65.35 110.873 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -65.46 -42.12 92.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.918 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.45 -42.96 91.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 55.21 110.945 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 70.35 111.077 179.806 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.829 0.347 . . . . 74.15 111.138 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -65.57 -56.57 11.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.894 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -67.68 -43.1 80.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.907 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.62 -51.8 41.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 52.4 112.456 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.8 -43.6 95.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 72.12 110.905 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.65 -32.21 72.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.15 111.123 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -67.25 -55.98 11.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 72.12 110.897 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t -52.48 -48.08 66.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.886 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.03 67.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.51 . . . . 72.04 111.074 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.58 -29.55 71.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 52.1 112.456 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.4 t -58.8 -34.88 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 75.11 111.16 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -63.39 -41.88 98.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 63.41 110.855 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -67.03 -37.11 83.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 72.2 110.904 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.83 -37.14 81.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 73.53 110.948 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 53.12 111.108 179.838 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.826 0.346 . . . . 63.14 111.136 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -65.44 -41.55 93.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 63.14 110.88 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -56.49 -53.38 58.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 72.23 110.88 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.17 -36.8 57.62 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 60.33 112.472 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -71.02 -42.39 69.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 64.21 110.883 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.22 -41.43 85.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 62.54 111.062 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -54.69 -63.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 71.51 110.893 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 m -52.77 -37.14 59.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 71.25 110.864 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.79 -31.62 66.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 75.41 111.077 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.9 -41.41 14.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.767 -0.73 . . . . 44.43 112.472 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.1 t -57.21 -34.71 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 74.42 111.097 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -63.51 -40.35 96.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 73.52 110.843 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -69.69 -43.27 72.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.858 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.97 -28.56 69.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 62.13 110.897 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 44.44 111.047 179.829 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.806 0.336 . . . . 61.41 111.108 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -65.48 -38.47 89.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.44 110.927 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -55.5 -53.64 53.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.932 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.96 -36.05 50.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.729 . . . . 71.14 112.477 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -71.94 -48.3 46.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 71.14 110.909 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.86 84.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 31.35 111.078 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -54.6 -58.53 7.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 61.22 110.84 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -52.22 -38.09 56.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 73.33 110.881 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.53 97.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 70.13 111.108 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.44 -50.81 61.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 62.42 112.463 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.71 -38.07 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 53.24 111.144 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -64.06 -41.63 97.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 73.43 110.828 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -66.62 -45.88 77.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 65.25 110.891 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 mt -65.85 -29.39 69.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 70.22 110.912 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 52.2 111.119 179.806 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.872 0.368 . . . . 51.31 111.156 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -65.58 -42.87 91.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 73.33 110.9 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 24.9 t-105 -55.64 -53.25 58.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.944 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.8 -43.99 97.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.667 -0.778 . . . . 52.02 112.51 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -63.37 -44.67 94.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 72.14 110.889 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.22 -31.83 73.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 70.13 111.116 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -62.3 -63.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 71.35 110.859 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.0 m -58.73 -29.55 66.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.831 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.54 77.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 74.53 111.078 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.49 -42.05 99.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 75.41 112.444 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.7 t -56.46 -42.86 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.36 . . . . 73.2 111.176 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -63.21 -39.66 95.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 71.12 110.906 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -68.52 -38.45 80.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.824 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.0 mt -63.58 -47.33 81.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 72.33 110.902 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 73.5 111.139 179.769 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.813 0.34 . . . . 65.2 111.09 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -71.36 -39.51 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 61.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -60.69 -53.34 58.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 65.52 110.934 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.57 -38.78 52.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 64.35 112.489 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -68.83 -40.93 79.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 75.21 110.871 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.22 -38.83 85.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 73.12 111.09 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -62.96 -42.78 99.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.903 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -55.21 -46.8 75.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 62.44 110.827 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -44.44 92.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 70.13 111.116 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.26 -30.95 56.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 51.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.55 -38.32 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 73.02 111.145 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -65.57 -39.59 91.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 61.03 110.858 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.98 -39.24 79.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.834 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 mt -66.37 -35.22 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 72.4 110.919 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 72.34 111.1 179.771 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.783 0.325 . . . . 73.32 111.102 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -72.73 -26.58 61.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.951 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -67.6 -51.75 46.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 64.15 110.919 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.65 -41.58 95.77 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 63.45 112.484 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.54 -38.33 90.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 64.23 110.861 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.65 -35.3 78.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 52.21 111.079 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -67.22 -53.62 28.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 71.24 110.859 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -55.76 -41.13 73.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.872 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.16 -30.0 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 73.24 111.094 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.59 -40.9 31.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.711 -0.757 . . . . 60.34 112.437 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.8 t -55.83 -38.51 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 74.42 111.125 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -64.16 -39.61 94.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 62.04 110.838 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -69.18 -39.83 78.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 75.02 110.874 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.96 -39.18 93.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.93 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.34 111.144 179.783 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.849 0.357 . . . . 61.34 111.129 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -68.82 -51.05 44.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 61.35 110.902 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -55.36 -46.8 76.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.42 -48.4 86.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 62.45 112.486 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.78 -44.52 93.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 73.21 110.889 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.5 -38.68 91.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 74.02 111.077 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -58.07 -52.62 64.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.877 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.9 p -56.14 -46.01 79.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.837 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.26 -30.5 62.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 50.25 111.106 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.56 -38.33 61.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 53.31 112.511 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.27 -35.1 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 73.04 111.136 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -63.41 -42.97 98.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.879 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -67.44 -37.45 83.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.823 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.92 -47.51 86.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 72.2 110.913 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 73.52 111.131 179.764 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.458 -0.04 0 CA-C-O 120.823 0.344 . . . . 51.33 111.119 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -65.58 -48.92 70.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 74.1 110.895 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -61.89 -57.81 10.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 73.42 110.931 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.25 -41.85 54.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 42.02 112.523 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -65.99 -45.59 81.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.363 . . . . 71.53 110.919 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.28 -34.74 77.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 73.44 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.625 ' O ' HG23 ' A' ' 26' ' ' VAL . 66.8 t80 -63.37 -49.73 72.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 73.21 110.92 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -55.54 -38.27 69.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 70.31 110.918 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.42 -56.33 22.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 75.53 111.053 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.81 -40.89 97.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.765 -0.731 . . . . 71.44 112.473 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 22' ' ' PHE . 89.1 t -54.78 -32.21 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 75.23 111.126 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -63.18 -43.21 98.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 60.12 110.886 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -69.89 -27.1 64.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.871 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.16 -49.81 63.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 71.32 110.895 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.32 111.048 179.838 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.856 0.36 . . . . 74.31 111.158 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.37 -33.33 67.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 44.23 110.867 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -56.52 -58.6 7.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.906 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.48 -43.14 85.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 60.01 112.451 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.26 -46.26 87.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 73.41 110.913 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.68 -43.07 98.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 63.4 111.11 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 26' ' ' VAL . 3.4 t80 -54.61 -59.1 5.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 74.21 110.891 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 p -56.38 -46.81 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 64.12 110.818 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.4 -29.16 63.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 53.3 111.112 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.88 -30.85 34.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 74.11 112.479 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 22' ' ' PHE . 87.1 t -60.29 -33.04 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 74.44 111.097 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -63.71 -44.52 93.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.834 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -65.75 -39.79 91.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 72.34 110.871 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.33 -42.3 99.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.93 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 41.03 111.109 179.788 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.861 0.362 . . . . 51.15 111.15 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -72.72 -45.25 59.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 70.23 110.931 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -64.19 -47.91 77.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 74.4 110.9 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.34 -43.54 98.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 50.04 112.497 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -63.34 -44.3 95.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 75.53 110.88 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.68 81.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 73.21 111.079 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -61.66 -53.32 57.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 75.52 110.868 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.9 t -52.11 -34.16 42.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 62.22 110.847 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.29 91.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 61.24 111.134 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.91 -34.07 43.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 72.33 112.478 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.5 t -58.75 -38.16 70.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.881 0.372 . . . . 74.42 111.17 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -64.95 -40.57 95.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 64.32 110.865 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -68.42 -37.55 80.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 73.24 110.828 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.9 mt -66.98 -37.66 84.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 65.53 111.135 179.8 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.778 0.323 . . . . 71.32 111.098 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -69.78 -30.39 67.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 64.04 110.859 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -59.29 -48.32 82.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.94 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.23 -40.3 98.81 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.784 -0.722 . . . . 65.31 112.482 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.49 -43.34 85.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.856 0.36 . . . . 75.32 110.886 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.96 -35.07 79.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 70.24 111.132 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.25 -47.96 69.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 74.51 110.869 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m -59.24 -27.04 65.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 42.43 110.903 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.99 -52.16 61.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 34.21 111.127 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.38 -42.41 93.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 62.13 112.447 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.0 t -57.54 -34.05 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 75.33 111.118 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -64.09 -41.03 97.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.891 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -67.65 -47.71 68.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 70.51 110.888 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 mt -61.55 -30.08 70.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 72.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 63.32 111.108 179.816 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.821 0.344 . . . . 73.12 111.099 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -71.48 -27.83 63.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.875 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -57.84 -49.97 74.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.154 -0.476 . . . . 74.53 110.889 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.06 -42.95 98.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 70.4 112.474 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -65.58 -40.49 92.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.358 . . . . 72.44 110.889 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.24 86.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 64.22 111.127 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -64.41 -43.95 92.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 64.33 110.893 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -55.62 -37.03 67.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 70.24 110.821 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.23 -35.6 75.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.11 111.158 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.38 -49.34 20.46 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.717 -0.754 . . . . 71.25 112.452 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.5 t -57.39 -32.39 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.924 0.392 . . . . 70.51 111.151 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -63.33 -43.13 98.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.916 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -69.36 -26.52 64.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.41 110.885 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.57 -54.13 22.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 61.21 110.931 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 73.54 111.079 179.83 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.801 0.334 . . . . 74.43 111.112 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -71.42 -26.26 62.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 74.14 110.898 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 21.5 t-105 -61.46 -54.25 45.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.937 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.75 -41.66 90.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 63.1 112.473 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.35 -36.49 83.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 72.12 110.869 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.86 -31.79 71.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 73.44 111.108 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -68.34 -53.39 24.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 62.33 110.895 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 t -53.11 -29.03 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 71.32 110.853 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.77 59.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 60.33 111.116 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.15 -40.23 14.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 70.3 112.462 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.3 t -56.33 -34.02 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 62.52 111.127 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -64.6 -42.11 95.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 74.52 110.891 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -65.91 -36.28 82.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.845 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.3 -42.95 92.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 71.32 110.891 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 73.44 111.083 179.848 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.882 0.372 . . . . 73.42 111.12 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -65.5 -53.66 39.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 64.42 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -62.31 -53.63 52.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 71.22 110.924 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.58 -38.77 64.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.697 -0.763 . . . . 50.35 112.505 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -66.3 -42.79 87.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 70.03 110.86 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.66 81.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 75.11 111.106 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -68.12 -38.11 81.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 71.54 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 m -52.36 -31.71 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 73.52 110.831 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.35 -41.76 94.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 61.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.77 -44.02 57.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.779 -0.724 . . . . 71.32 112.467 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.3 t -54.85 -32.79 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 52.32 111.126 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -63.52 -43.51 96.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 75.04 110.854 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.3 ttp85 -65.23 -34.9 79.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.899 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mp -61.97 -51.09 69.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 73.15 111.147 179.742 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.862 0.363 . . . . 75.02 111.108 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -72.78 -26.3 61.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.93 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -58.48 -57.01 14.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 74.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.33 -42.61 74.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 52.04 112.485 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -63.62 -39.1 93.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 74.01 110.916 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.488 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -67.81 -33.05 74.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.0 111.088 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.705 ' O ' HG23 ' A' ' 26' ' ' VAL . 14.1 t80 -61.17 -64.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 71.32 110.915 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 m -55.4 -26.59 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 53.14 110.847 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . -52.88 -63.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 41.33 111.122 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.74 -31.37 73.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.763 . . . . 42.22 112.466 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 22' ' ' PHE . 93.5 t -56.67 -31.89 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 73.24 111.12 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -63.22 -38.64 91.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.86 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -69.87 -37.49 76.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 72.22 110.857 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.7 -37.52 86.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 71.22 110.932 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 54.32 111.103 179.772 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.857 0.36 . . . . 61.24 111.173 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -69.54 -40.43 76.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 75.21 110.867 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -56.37 -53.46 57.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.474 . . . . 74.22 110.896 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.93 -41.51 59.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.793 -0.718 . . . . 61.41 112.478 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -66.55 -49.47 66.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 53.11 110.898 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.53 -35.65 76.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 72.22 111.141 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -62.89 -48.89 77.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.04 110.851 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.2 t -60.43 -30.61 69.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.863 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.54 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 64.24 111.09 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.66 -34.78 38.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 72.13 112.482 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.6 t -56.16 -32.46 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 72.14 111.153 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -64.86 -44.48 89.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 52.25 110.851 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -64.41 -36.71 85.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 74.2 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.65 -41.21 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 65.25 110.917 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 73.54 111.089 179.819 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.352 . . . . 71.5 110.905 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -84.1 80.77 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 74.45 110.936 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -86.86 52.21 2.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 70.13 110.934 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.92 178.65 21.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 71.33 112.457 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -70.93 -34.97 72.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 74.22 110.887 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.3 -20.79 3.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 74.24 112.502 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.4 m -66.97 -40.13 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 74.33 111.134 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -72.43 -28.85 63.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 62.42 110.915 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.515 HD11 ' CG ' ' A' ' 17' ' ' ASN . 1.0 OUTLIER -69.14 -28.33 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.942 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.74 -61.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 71.04 111.136 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.64 -30.52 70.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 64.04 110.914 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.4 t -64.09 -67.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 70.43 110.87 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.409 ' O ' HG12 ' A' ' 16' ' ' VAL . . . -161.79 60.82 0.28 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.788 -0.72 . . . . 71.41 112.512 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 pp -55.43 -30.09 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 60.01 110.895 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.5 m -71.59 -50.64 29.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 71.45 110.882 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 13' ' ' GLY . 12.5 p -69.31 -25.14 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 62.11 111.145 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.515 ' CG ' HD11 ' A' ' 9' ' ' LEU . 15.3 t30 -72.74 -50.82 22.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.915 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -63.61 -45.87 88.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 64.23 110.912 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.59 -34.29 85.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 71.43 112.45 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.92 -39.75 72.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 73.24 110.885 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.68 -33.71 75.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 73.01 111.113 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.647 ' O ' HG23 ' A' ' 26' ' ' VAL . 24.0 t80 -68.21 -44.39 75.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 65.34 110.891 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -52.22 -56.06 17.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.03 110.87 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.91 -35.3 72.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.23 111.135 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.28 -33.66 83.19 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.723 -0.751 . . . . 74.11 112.528 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 22' ' ' PHE . 57.4 t -56.66 -36.43 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 74.23 111.142 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -63.23 -39.96 96.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 52.14 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -37.18 80.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 70.51 110.874 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.19 -47.11 71.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.922 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.83 80.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 62.42 111.09 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -89.82 64.17 6.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 70.32 110.852 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.89 -55.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 54.21 112.504 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.5 -86.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 61.32 112.508 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -93.38 168.08 11.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.884 0.373 . . . . 60.11 110.882 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.97 131.38 1.63 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.791 -0.719 . . . . 75.34 112.517 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -95.54 25.68 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 63.45 110.894 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.104 -0.498 . . . . 75.44 110.928 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.78 0.324 . . . . 74.11 110.867 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -80.66 150.5 29.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.908 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -84.02 76.89 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 75.2 110.944 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.93 110.57 3.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 72.13 112.497 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -76.07 88.33 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 60.12 110.896 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.1 81.6 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 61.51 112.493 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.99 -40.25 85.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.342 . . . . 64.31 111.101 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -72.5 -31.42 65.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 74.34 110.836 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -22.56 66.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 54.33 110.919 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.5 m -68.58 -62.2 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 75.1 111.123 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -69.45 -28.66 66.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 61.32 110.898 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.9 t -63.98 -25.08 67.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 51.23 110.863 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.95 59.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 74.53 112.503 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -55.35 -25.97 38.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 71.44 110.935 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.7 t -71.44 -54.75 9.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.45 110.836 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.2 p -69.53 -27.27 33.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 73.22 111.096 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -72.76 -29.62 63.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 61.22 110.868 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -67.57 -54.92 15.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 72.44 110.93 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.46 -36.83 64.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.685 -0.769 . . . . 72.23 112.478 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -70.25 -44.22 68.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 61.02 110.853 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.09 -34.84 78.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 74.32 111.117 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.6 t80 -59.54 -51.5 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.884 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -53.74 -41.72 67.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.83 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.93 -58.21 9.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 75.3 111.121 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.58 -36.26 47.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 74.41 112.512 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 22' ' ' PHE . 91.4 t -58.33 -32.17 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 71.24 111.139 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -63.22 -43.0 99.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.839 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -69.83 -37.71 76.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 71.05 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 29' ' ' LEU . 13.2 mt -60.95 -37.48 82.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 64.32 110.861 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.16 -24.4 65.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 64.21 111.122 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -147.79 98.4 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 70.22 110.886 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.98 23.97 6.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 53.43 112.46 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.04 -35.62 3.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 73.33 112.519 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -88.02 168.13 13.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 65.32 110.867 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.96 78.9 0.22 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.677 -0.773 . . . . 52.33 112.477 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -93.13 -36.49 12.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 72.4 110.905 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 72.01 110.875 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.729 0.299 . . . . 65.45 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -152.17 157.24 41.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 43.54 110.954 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -86.67 -26.5 24.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 74.2 110.873 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.78 156.74 21.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.723 . . . . 63.51 112.484 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -161.96 88.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 72.15 110.872 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.98 81.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 75.44 112.488 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.8 m -67.0 -40.2 85.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 64.44 111.14 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -72.52 -31.41 65.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.86 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.52 -22.51 66.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.889 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.3 m -68.61 -62.18 1.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 54.22 111.116 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -69.47 -28.8 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 62.53 110.951 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m -63.91 -25.16 68.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.886 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.09 60.23 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.724 -0.751 . . . . 62.5 112.483 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -55.47 -25.83 38.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 74.24 110.896 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 p -71.37 -54.31 11.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 71.24 110.843 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.6 -28.62 38.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 55.44 111.116 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -72.75 -26.91 61.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 71.5 110.863 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -55.89 -49.69 72.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.906 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.91 -40.12 96.43 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.791 -0.719 . . . . 64.32 112.487 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -67.42 -41.63 84.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.338 . . . . 53.11 110.878 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.1 -32.1 73.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 60.51 111.062 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -64.65 -55.51 19.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 75.54 110.884 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 t -59.02 -31.92 69.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 62.41 110.879 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.7 93.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 52.13 111.095 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.83 -49.46 78.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.676 -0.774 . . . . 71.42 112.512 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.84 -38.71 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 74.31 111.155 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -63.68 -41.59 98.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 72.02 110.872 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -38.75 87.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 71.33 110.834 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.2 mt -62.03 -51.68 67.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 73.44 110.948 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.06 -50.95 71.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 70.1 111.111 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -90.28 81.48 6.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.905 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 153.83 -59.71 0.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 35.4 112.495 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.9 90.92 0.91 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.712 -0.756 . . . . 53.21 112.47 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -97.0 126.77 42.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 70.21 110.848 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.95 -62.25 2.95 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.797 -0.716 . . . . 73.41 112.505 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -86.55 90.65 8.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 74.13 110.891 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 75.13 110.943 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.809 0.338 . . . . 64.21 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 51.97 31.03 8.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 73.52 110.912 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -82.94 67.17 8.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 71.44 110.883 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.8 108.73 2.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 73.42 112.527 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -70.05 -41.67 73.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.857 0.361 . . . . 74.11 110.926 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 57.47 81.73 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.769 . . . . 75.13 112.539 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.95 -40.29 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.378 . . . . 73.3 111.117 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -72.48 -32.11 65.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.863 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.46 -22.71 66.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 72.44 110.915 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.4 m -68.63 -62.09 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 61.41 111.194 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -69.38 -28.09 65.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.41 110.888 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.3 t -63.99 -25.02 67.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.846 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.48 59.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 70.23 112.475 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.461 HD12 ' CH2' ' A' ' 18' ' ' TRP . 2.3 pt? -55.47 -25.85 39.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.77 0.319 . . . . 51.03 110.878 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.6 m -71.46 -55.61 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.864 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.49 -25.27 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 64.54 111.103 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -70.39 -37.17 74.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 64.25 110.902 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.461 ' CH2' HD12 ' A' ' 14' ' ' LEU . 6.9 m0 -62.95 -51.5 66.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.893 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.33 -37.57 94.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 73.21 112.516 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.3 -39.93 81.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.856 0.36 . . . . 60.13 110.874 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.18 -31.37 71.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 52.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -67.9 -48.88 64.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 73.2 110.863 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 m -53.84 -41.21 67.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.02 110.838 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.47 78.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 73.22 111.099 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.52 -38.08 95.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 73.22 112.515 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.74 -37.11 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 60.31 111.115 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -63.41 -42.76 98.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 65.35 110.873 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -65.46 -42.12 92.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.918 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.45 -42.96 91.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 55.21 110.945 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.27 78.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 70.35 111.077 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -82.98 68.51 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.885 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.51 -71.05 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.74 . . . . 53.04 112.526 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.49 -24.74 67.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 42.24 112.533 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -89.75 -53.5 4.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.864 0.364 . . . . 72.21 110.894 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.42 91.97 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 60.31 112.522 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -87.73 151.42 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 73.31 110.912 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 41.2 m95 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.924 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 40.3 tptt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.811 0.339 . . . . 75.42 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -84.73 94.21 8.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 63.23 110.905 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -87.97 -27.61 21.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 70.11 110.895 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.27 -127.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 74.1 112.476 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -76.35 67.55 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 71.42 110.888 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -112.57 -20.32 6.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 41.24 112.462 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.98 -40.23 85.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 61.32 111.139 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -72.49 -31.12 65.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 73.43 110.887 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.582 HD21 ' ND2' ' A' ' 17' ' ' ASN . 1.0 OUTLIER -62.49 -22.6 66.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 72.03 110.919 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.2 m -68.6 -62.19 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 62.31 111.138 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -69.41 -28.18 65.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 72.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -63.97 -25.07 67.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 65.04 110.836 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.414 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 148.64 59.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 65.43 112.489 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -55.46 -25.82 38.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 74.24 110.937 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.5 t -71.49 -52.02 20.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 62.4 110.871 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 13' ' ' GLY . 11.9 p -69.39 -25.54 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 74.15 111.138 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.582 ' ND2' HD21 ' A' ' 9' ' ' LEU . 5.6 t30 -65.57 -56.57 11.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.894 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -67.68 -43.1 80.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.907 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.62 -51.8 41.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 52.4 112.456 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.8 -43.6 95.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 72.12 110.905 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.65 -32.21 72.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.15 111.123 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -67.25 -55.98 11.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 72.12 110.897 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t -52.48 -48.08 66.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.886 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.03 67.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.51 . . . . 72.04 111.074 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.58 -29.55 71.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 52.1 112.456 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.4 t -58.8 -34.88 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 75.11 111.16 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -63.39 -41.88 98.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 63.41 110.855 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -67.03 -37.11 83.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 72.2 110.904 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.83 -37.14 81.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 73.53 110.948 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.43 -29.64 69.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 53.12 111.108 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -88.66 -39.28 14.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 62.22 110.897 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.5 120.15 3.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.805 -0.712 . . . . 62.54 112.474 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.88 80.84 1.56 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.743 . . . . 74.01 112.496 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -146.64 149.34 33.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 72.11 110.901 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.84 91.62 1.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.665 -0.779 . . . . 74.31 112.519 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -87.12 120.5 28.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 72.32 110.933 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.9 t90 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.929 -179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.781 0.324 . . . . 71.25 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -84.37 164.69 18.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 64.23 110.891 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -88.62 -56.32 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 72.24 110.907 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.53 -83.19 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.689 -0.767 . . . . 33.53 112.453 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -69.26 -66.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 55.14 110.881 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.22 -20.64 37.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 70.01 112.49 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.54 -40.08 85.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.369 . . . . 73.41 111.137 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -72.53 -32.33 66.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 72.43 110.851 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.609 HD11 ' ND2' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -62.41 -22.51 66.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 74.25 110.949 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.3 m -68.51 -62.23 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 65.41 111.158 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -69.56 -28.68 66.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 73.53 110.931 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.0 t -63.98 -24.8 67.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 71.2 110.812 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.422 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 148.6 60.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 72.33 112.503 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -55.61 -25.45 38.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 64.14 110.893 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.0 p -71.49 -51.78 21.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.883 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 13' ' ' GLY . 11.3 p -69.37 -25.08 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 63.14 111.136 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.609 ' ND2' HD11 ' A' ' 9' ' ' LEU . 2.8 t-20 -65.44 -41.55 93.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 63.14 110.88 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -56.49 -53.38 58.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 72.23 110.88 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.17 -36.8 57.62 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 60.33 112.472 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -71.02 -42.39 69.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 64.21 110.883 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.22 -41.43 85.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 62.54 111.062 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -54.69 -63.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 71.51 110.893 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 m -52.77 -37.14 59.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 71.25 110.864 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.79 -31.62 66.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 75.41 111.077 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.9 -41.41 14.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.767 -0.73 . . . . 44.43 112.472 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.1 t -57.21 -34.71 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 74.42 111.097 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -63.51 -40.35 96.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 73.52 110.843 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -69.69 -43.27 72.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.858 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.97 -28.56 69.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 62.13 110.897 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.92 92.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 44.44 111.047 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -84.94 76.95 10.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 74.55 110.889 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.43 65.26 2.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 33.11 112.516 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.63 54.33 0.78 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 71.1 112.487 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -93.94 139.46 30.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 73.35 110.913 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.81 151.49 18.29 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.697 -0.763 . . . . 61.41 112.5 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -149.67 150.19 31.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.352 . . . . 72.13 110.894 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 94.3 m95 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.948 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.3 tttt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.802 0.335 . . . . 73.0 110.924 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -83.66 80.07 9.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 62.14 110.936 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -88.41 69.29 8.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 62.33 110.91 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.44 165.57 28.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 64.43 112.529 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -71.58 -39.36 70.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 73.45 110.919 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.28 -21.04 0.56 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 64.25 112.449 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.9 m -66.55 -39.96 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 72.12 111.152 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -72.57 -31.44 65.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.31 110.81 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.585 HD21 ' OD1' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -62.44 -22.5 66.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 72.15 110.903 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.4 m -68.6 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 74.23 111.137 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.53 -28.7 66.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 65.42 110.877 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.5 m -63.87 -24.44 67.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 72.41 110.889 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.427 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 147.97 60.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.72 -0.753 . . . . 62.44 112.478 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -55.6 -25.46 38.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.739 0.304 . . . . 64.44 110.888 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 p -71.46 -51.97 20.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 75.14 110.86 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 13' ' ' GLY . 11.5 p -69.36 -25.24 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 61.41 111.108 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.585 ' OD1' HD21 ' A' ' 9' ' ' LEU . 2.6 t-20 -65.48 -38.47 89.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.44 110.927 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -55.5 -53.64 53.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.932 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.96 -36.05 50.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.729 . . . . 71.14 112.477 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -71.94 -48.3 46.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 71.14 110.909 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.86 84.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 31.35 111.078 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -54.6 -58.53 7.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 61.22 110.84 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -52.22 -38.09 56.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 73.33 110.881 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.53 97.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 70.13 111.108 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.44 -50.81 61.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 62.42 112.463 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.71 -38.07 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 53.24 111.144 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -64.06 -41.63 97.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 73.43 110.828 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -66.62 -45.88 77.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 65.25 110.891 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 mt -65.85 -29.39 69.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 70.22 110.912 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.84 84.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 52.2 111.119 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -85.02 -61.16 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 61.44 110.858 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.22 82.94 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.762 -0.732 . . . . 54.05 112.471 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.24 97.47 1.26 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.741 . . . . 64.44 112.473 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -89.57 88.39 7.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 75.33 110.891 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.44 -161.74 9.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 63.12 112.442 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -90.19 174.67 7.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 74.01 110.912 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.2 t-105 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 71.42 110.886 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.825 0.345 . . . . 71.03 110.89 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -152.79 127.01 9.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.897 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 56.74 41.74 27.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 65.34 110.919 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.07 -139.95 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 73.21 112.505 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.432 ' HB3' HG22 ' A' ' 7' ' ' VAL . 40.1 m-20 -69.14 -74.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.861 0.362 . . . . 74.23 110.891 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.03 -19.75 47.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 43.43 112.483 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.432 HG22 ' HB3' ' A' ' 5' ' ' ASN . 30.4 m -66.93 -40.14 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 71.12 111.115 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -72.53 -34.71 67.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 73.51 110.836 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.579 HD21 ' OD1' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -62.47 -22.61 66.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 65.23 110.877 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 m -68.57 -62.16 1.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 61.14 111.15 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -69.42 -28.7 66.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.886 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.6 t -63.92 -24.08 67.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 74.41 110.838 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.416 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 147.6 60.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 45.04 112.501 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -55.63 -25.41 38.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 53.12 110.893 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 t -71.51 -51.96 20.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 74.41 110.808 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 13' ' ' GLY . 11.6 p -69.34 -25.23 28.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 51.31 111.156 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.579 ' OD1' HD21 ' A' ' 9' ' ' LEU . 2.6 t-20 -65.58 -42.87 91.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 73.33 110.9 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 24.9 t-105 -55.64 -53.25 58.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.944 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.8 -43.99 97.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.667 -0.778 . . . . 52.02 112.51 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -63.37 -44.67 94.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 72.14 110.889 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.22 -31.83 73.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 70.13 111.116 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -62.3 -63.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 71.35 110.859 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.0 m -58.73 -29.55 66.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.831 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.54 77.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 74.53 111.078 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.49 -42.05 99.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 75.41 112.444 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.7 t -56.46 -42.86 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.36 . . . . 73.2 111.176 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -63.21 -39.66 95.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 71.12 110.906 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -68.52 -38.45 80.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.824 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.0 mt -63.58 -47.33 81.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 72.33 110.902 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.75 -50.78 69.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 73.5 111.139 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -85.01 74.95 10.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 51.25 110.866 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.86 -26.46 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 75.42 112.497 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.66 73.37 1.21 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 73.23 112.485 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -96.42 -56.86 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 65.23 110.922 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.55 -118.48 1.37 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 61.24 112.491 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -144.79 173.08 12.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 64.43 110.858 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 27.5 t90 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.89 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 71.12 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -83.16 90.47 7.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 70.51 110.939 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -155.93 109.21 2.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 74.01 110.907 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.48 156.64 7.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 63.43 112.477 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -70.48 -26.18 63.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 74.25 110.874 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.45 -20.2 1.87 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 44.23 112.503 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.3 m -66.93 -40.24 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 73.03 111.091 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -72.52 -31.65 65.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.5 110.844 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.632 HD11 ' ND2' ' A' ' 17' ' ' ASN . 1.0 OUTLIER -62.46 -22.88 66.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 75.44 110.922 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.0 m -68.61 -62.07 1.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 72.11 111.154 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -27.45 65.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 73.35 110.908 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 t -63.91 -23.9 67.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.856 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.427 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 146.66 59.07 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.762 -0.732 . . . . 75.33 112.477 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -55.8 -24.97 39.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 72.11 110.879 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.2 m -71.46 -52.0 20.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.855 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 13' ' ' GLY . 11.7 p -69.37 -25.24 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 65.2 111.09 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.632 ' ND2' HD11 ' A' ' 9' ' ' LEU . 17.7 t-20 -71.36 -39.51 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 61.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -60.69 -53.34 58.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 65.52 110.934 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.57 -38.78 52.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 64.35 112.489 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -68.83 -40.93 79.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 75.21 110.871 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.22 -38.83 85.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 73.12 111.09 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -62.96 -42.78 99.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.903 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -55.21 -46.8 75.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 62.44 110.827 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -44.44 92.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 70.13 111.116 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.26 -30.95 56.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 51.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.55 -38.32 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 73.02 111.145 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -65.57 -39.59 91.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 61.03 110.858 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.98 -39.24 79.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.834 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 mt -66.37 -35.22 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 72.4 110.919 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.25 -35.32 75.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 72.34 111.1 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -86.76 -33.11 20.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.831 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -93.8 -121.62 3.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 72.43 112.462 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.74 65.57 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 64.3 112.498 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -148.76 158.8 44.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 72.41 110.899 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.38 131.48 3.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 63.14 112.479 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -90.62 -70.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 71.2 110.918 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.1 t90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 73.41 110.956 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.848 0.356 . . . . 74.01 110.938 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -158.12 133.8 9.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.45 110.909 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -81.7 81.04 7.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 73.42 110.96 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.74 -113.15 0.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 61.24 112.472 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -76.32 77.93 3.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 74.34 110.888 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -109.96 -21.68 6.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 65.1 112.472 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.2 m -66.97 -40.27 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 75.32 111.102 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -72.52 -31.64 65.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 64.5 110.844 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.44 -23.98 67.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.892 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.5 m -68.65 -62.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 72.22 111.139 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -68.12 -28.27 67.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 72.31 110.943 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.9 m -64.01 -54.58 32.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 64.31 110.875 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.32 60.09 0.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 65.42 112.517 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -55.54 -25.62 38.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 64.21 110.888 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 t -71.57 -54.58 10.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 71.14 110.836 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.4 -29.73 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.32 111.102 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -72.73 -26.58 61.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.951 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -67.6 -51.75 46.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 64.15 110.919 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.65 -41.58 95.77 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 63.45 112.484 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.54 -38.33 90.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 64.23 110.861 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.65 -35.3 78.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 52.21 111.079 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -67.22 -53.62 28.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 71.24 110.859 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -55.76 -41.13 73.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.872 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.16 -30.0 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 73.24 111.094 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.59 -40.9 31.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.711 -0.757 . . . . 60.34 112.437 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.8 t -55.83 -38.51 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 74.42 111.125 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -64.16 -39.61 94.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 62.04 110.838 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -69.18 -39.83 78.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 75.02 110.874 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.96 -39.18 93.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.93 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.76 -33.65 71.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.34 111.144 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -85.67 -69.32 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 74.42 110.919 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.67 -104.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 24.31 112.487 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.22 -86.64 0.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.784 -0.722 . . . . 70.13 112.496 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -92.56 -37.64 12.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 72.52 110.862 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.13 44.44 3.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 72.42 112.503 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -94.1 -31.12 14.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.351 . . . . 72.44 110.881 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 26.9 t90 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.119 -0.491 . . . . 64.43 110.927 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.8 tptm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.764 0.316 . . . . 72.41 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 52.84 41.33 31.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 71.21 110.936 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -85.01 -36.66 21.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 70.22 110.889 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.95 -68.08 0.36 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 71.34 112.458 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -73.39 80.81 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 62.34 110.935 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.2 80.88 0.85 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 50.23 112.501 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.4 m -66.61 -39.96 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 71.42 111.113 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -72.66 -31.7 65.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 72.5 110.857 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.807 HD11 ' ND2' ' A' ' 17' ' ' ASN . 1.0 OUTLIER -62.78 -22.7 66.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 73.33 110.935 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.8 m -68.62 -62.13 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 70.1 111.157 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -69.33 -27.81 65.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 72.14 110.897 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.5 t -63.95 -24.99 67.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 55.12 110.84 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.403 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 148.26 59.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 60.33 112.485 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -55.49 -25.74 38.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 73.31 110.919 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.7 m -71.42 -52.15 20.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 71.54 110.886 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 13' ' ' GLY . 12.1 p -69.48 -25.48 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 61.34 111.129 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.807 ' ND2' HD11 ' A' ' 9' ' ' LEU . 13.4 t-20 -68.82 -51.05 44.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 61.35 110.902 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -55.36 -46.8 76.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.42 -48.4 86.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 62.45 112.486 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.78 -44.52 93.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 73.21 110.889 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.5 -38.68 91.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 74.02 111.077 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -58.07 -52.62 64.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.877 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.9 p -56.14 -46.01 79.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.837 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.26 -30.5 62.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 50.25 111.106 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.56 -38.33 61.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 53.31 112.511 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.27 -35.1 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 73.04 111.136 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -63.41 -42.97 98.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.879 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -67.44 -37.45 83.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.823 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.92 -47.51 86.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 72.2 110.913 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.33 96.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 73.52 111.131 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -89.81 69.04 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.884 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.24 -68.4 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.73 . . . . 32.34 112.499 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.39 27.62 9.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 64.14 112.487 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -88.83 67.51 8.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.794 0.33 . . . . 74.44 110.86 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.82 -78.35 0.38 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 73.24 112.472 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -93.44 124.7 37.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 75.33 110.889 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 73.22 110.94 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.815 0.34 . . . . 61.12 110.913 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -80.42 177.59 8.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 71.32 110.899 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -152.17 115.06 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 71.02 110.9 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.21 -169.58 18.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.72 -0.752 . . . . 74.01 112.521 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -73.24 -27.29 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 73.11 110.869 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 129.16 -19.72 5.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 63.33 112.475 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.02 -40.29 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 72.33 111.119 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -72.45 -31.82 65.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 62.32 110.87 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.56 HD21 ' OD1' ' A' ' 17' ' ' ASN . 1.0 OUTLIER -62.49 -22.65 66.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 62.24 110.939 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.4 m -68.63 -62.12 1.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 72.03 111.176 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -28.06 65.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.924 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.6 t -63.98 -25.04 67.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.853 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.44 59.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 63.52 112.509 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -55.45 -25.83 38.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 64.21 110.902 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -71.47 -52.53 17.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 74.31 110.882 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.6 p -69.46 -25.07 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 51.33 111.119 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.56 ' OD1' HD21 ' A' ' 9' ' ' LEU . 2.5 t-20 -65.58 -48.92 70.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 74.1 110.895 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -61.89 -57.81 10.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 73.42 110.931 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.25 -41.85 54.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 42.02 112.523 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -65.99 -45.59 81.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.363 . . . . 71.53 110.919 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.28 -34.74 77.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 73.44 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.625 ' O ' HG23 ' A' ' 26' ' ' VAL . 66.8 t80 -63.37 -49.73 72.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 73.21 110.92 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -55.54 -38.27 69.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 70.31 110.918 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.42 -56.33 22.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 75.53 111.053 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.81 -40.89 97.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.765 -0.731 . . . . 71.44 112.473 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 22' ' ' PHE . 89.1 t -54.78 -32.21 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 75.23 111.126 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -63.18 -43.21 98.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 60.12 110.886 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -69.89 -27.1 64.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.871 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.16 -49.81 63.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 71.32 110.895 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.47 -26.86 68.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.32 111.048 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -82.78 -64.05 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 70.1 110.91 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.32 58.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 74.52 112.468 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.63 -31.25 27.61 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.798 -0.715 . . . . 73.43 112.491 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -90.3 -62.34 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 75.01 110.905 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.98 -107.81 0.29 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 40.21 112.492 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -89.47 104.39 16.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 72.52 110.862 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.0 t90 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 74.45 110.963 -179.915 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.741 0.305 . . . . 71.43 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -79.68 165.54 22.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 71.1 110.942 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -149.67 108.6 3.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 63.3 110.969 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.55 132.66 7.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 72.21 112.489 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.533 ' OD1' HG12 ' A' ' 7' ' ' VAL . 5.3 p30 -69.36 -26.18 64.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 70.34 110.884 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.54 -19.68 3.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.794 -0.717 . . . . 43.43 112.515 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.533 HG12 ' OD1' ' A' ' 5' ' ' ASN . 7.5 p -66.95 -40.3 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 71.21 111.17 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -72.48 -31.45 65.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.89 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.579 HD11 ' CG ' ' A' ' 17' ' ' ASN . 1.1 tt -62.52 -23.01 66.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 73.25 110.896 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 m -68.66 -62.11 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 64.15 111.147 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -69.3 -26.89 64.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 65.44 110.878 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 m -64.04 -24.84 67.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 64.21 110.866 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.417 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 147.62 58.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 75.44 112.493 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -55.51 -25.55 37.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.789 0.328 . . . . 64.12 110.9 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 p -71.41 -52.11 20.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 64.33 110.895 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 13' ' ' GLY . 11.7 p -69.33 -25.54 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 74.31 111.158 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.579 ' CG ' HD11 ' A' ' 9' ' ' LEU . 21.3 t-20 -72.37 -33.33 67.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 44.23 110.867 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -56.52 -58.6 7.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.906 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.48 -43.14 85.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 60.01 112.451 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.26 -46.26 87.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 73.41 110.913 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.68 -43.07 98.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 63.4 111.11 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 26' ' ' VAL . 3.4 t80 -54.61 -59.1 5.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 74.21 110.891 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 p -56.38 -46.81 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 64.12 110.818 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.4 -29.16 63.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 53.3 111.112 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.88 -30.85 34.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 74.11 112.479 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 22' ' ' PHE . 87.1 t -60.29 -33.04 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 74.44 111.097 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -63.71 -44.52 93.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.834 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -65.75 -39.79 91.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 72.34 110.871 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.33 -42.3 99.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.93 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.14 -35.34 75.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 41.03 111.109 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -85.92 56.07 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 51.23 110.844 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 178.48 -70.51 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 61.34 112.448 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.67 75.96 2.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 33.25 112.496 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -148.32 127.4 12.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.34 . . . . 75.41 110.902 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.32 -127.5 0.71 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.669 -0.777 . . . . 70.23 112.466 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -145.9 136.79 24.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 74.02 110.855 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.0 m0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 61.15 110.877 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.791 0.329 . . . . 73.44 110.895 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -154.56 136.84 14.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 75.1 110.895 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -84.79 -64.16 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 73.31 110.941 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.45 164.86 30.04 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.758 . . . . 51.45 112.489 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -70.7 -26.99 63.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 74.43 110.92 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 129.28 -20.47 5.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 74.12 112.494 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.7 m -66.93 -40.24 85.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 72.14 111.15 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -72.49 -31.1 65.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.892 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -22.47 66.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 75.53 110.936 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.9 m -68.59 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 70.21 111.159 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -69.53 -28.99 66.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 73.5 110.879 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.2 t -63.89 -25.18 68.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 75.33 110.869 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.19 60.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 64.14 112.448 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -55.46 -25.87 38.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.34 . . . . 73.5 110.904 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.5 t -71.48 -54.59 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 54.43 110.831 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.1 p -69.37 -29.43 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 51.15 111.15 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -72.72 -45.25 59.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 70.23 110.931 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -64.19 -47.91 77.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 74.4 110.9 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.34 -43.54 98.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 50.04 112.497 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -63.34 -44.3 95.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 75.53 110.88 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.68 81.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 73.21 111.079 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -61.66 -53.32 57.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 75.52 110.868 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.9 t -52.11 -34.16 42.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 62.22 110.847 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.29 91.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 61.24 111.134 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.91 -34.07 43.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 72.33 112.478 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.5 t -58.75 -38.16 70.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.881 0.372 . . . . 74.42 111.17 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -64.95 -40.57 95.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 64.32 110.865 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -68.42 -37.55 80.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 73.24 110.828 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.9 mt -66.98 -37.66 84.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 -32.63 74.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 65.53 111.135 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -88.55 83.79 6.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 74.3 110.927 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 131.97 -26.22 3.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 74.42 112.506 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.51 90.91 0.6 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.758 . . . . 63.04 112.456 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -92.78 -34.09 14.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 64.32 110.883 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.55 -152.49 5.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 71.42 112.471 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 60.89 33.22 19.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 70.31 110.899 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.4 t90 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 71.12 110.932 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.5 tptm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.773 0.321 . . . . 44.42 110.899 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -84.35 106.93 16.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 64.12 110.942 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -81.07 -35.84 31.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 75.52 110.905 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.34 -44.75 0.11 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.746 . . . . 71.23 112.489 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -73.88 76.78 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 75.55 110.899 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.93 81.33 0.8 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 72.3 112.504 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.3 m -66.54 -39.93 85.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 71.13 111.163 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -72.6 -30.84 64.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.11 110.855 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.16 -22.47 66.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 75.02 110.905 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 m -68.63 -62.1 1.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 70.32 111.131 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -69.12 -25.6 64.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.926 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -64.03 -25.31 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 53.3 110.842 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.596 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 147.42 57.02 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 50.44 112.439 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -56.08 -21.84 24.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.901 0.381 . . . . 75.03 110.93 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 m -63.54 -19.5 64.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 60.25 110.893 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 13' ' ' GLY . 9.8 p -69.29 -21.9 25.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.09 -0.504 . . . . 71.32 111.098 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -69.78 -30.39 67.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 64.04 110.859 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -59.29 -48.32 82.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.94 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.23 -40.3 98.81 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.784 -0.722 . . . . 65.31 112.482 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.49 -43.34 85.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.856 0.36 . . . . 75.32 110.886 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.96 -35.07 79.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 70.24 111.132 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.25 -47.96 69.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 74.51 110.869 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m -59.24 -27.04 65.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 42.43 110.903 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.99 -52.16 61.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 34.21 111.127 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.38 -42.41 93.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 62.13 112.447 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.0 t -57.54 -34.05 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 75.33 111.118 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -64.09 -41.03 97.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.891 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -67.65 -47.71 68.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 70.51 110.888 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 mt -61.55 -30.08 70.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 72.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.86 70.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 63.32 111.108 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -85.18 -42.87 14.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 73.45 110.885 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -88.27 -89.33 1.13 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 50.34 112.452 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.82 32.94 35.17 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 72.34 112.487 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -94.22 97.07 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 64.33 110.862 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 172.06 -121.03 0.86 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 64.2 112.491 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -87.97 -35.84 17.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 72.42 110.895 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 89.4 m95 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 65.44 110.96 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.813 0.34 . . . . 64.34 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -85.73 131.16 34.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 73.21 110.898 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -86.63 52.6 2.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 75.32 110.983 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.69 -128.05 9.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.719 . . . . 63.13 112.486 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -76.36 -70.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 73.15 110.886 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.37 81.53 1.6 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.693 -0.765 . . . . 43.13 112.485 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.4 m -66.95 -40.23 85.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 73.33 111.141 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -72.55 -30.59 64.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 53.33 110.866 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.31 -23.14 67.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.92 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 m -68.58 -62.14 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 71.03 111.159 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -69.19 -25.62 64.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 72.24 110.889 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -64.05 -25.23 68.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 50.2 110.871 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.595 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 147.37 57.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 44.34 112.448 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -56.19 -21.71 24.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 64.52 110.924 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.9 p -63.66 -19.35 64.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 64.44 110.875 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 13' ' ' GLY . 9.8 p -69.36 -21.84 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 73.12 111.099 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -71.48 -27.83 63.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.875 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -57.84 -49.97 74.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.154 -0.476 . . . . 74.53 110.889 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.06 -42.95 98.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 70.4 112.474 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -65.58 -40.49 92.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.358 . . . . 72.44 110.889 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.24 86.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 64.22 111.127 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -64.41 -43.95 92.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 64.33 110.893 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -55.62 -37.03 67.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 70.24 110.821 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.23 -35.6 75.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.11 111.158 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.38 -49.34 20.46 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.717 -0.754 . . . . 71.25 112.452 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.5 t -57.39 -32.39 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.924 0.392 . . . . 70.51 111.151 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -63.33 -43.13 98.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.916 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -69.36 -26.52 64.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.41 110.885 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.57 -54.13 22.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 61.21 110.931 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.47 -25.38 65.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 73.54 111.079 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -83.65 -43.71 15.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.874 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 156.49 119.06 0.6 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 51.44 112.481 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.54 76.27 0.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 74.42 112.502 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -142.99 105.6 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 62.54 110.884 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -155.91 -148.82 5.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 20.11 112.459 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -87.28 145.55 26.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.878 0.371 . . . . 71.44 110.873 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.2 t90 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 75.3 110.953 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.3 tttp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.831 0.348 . . . . 74.23 110.863 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -85.88 57.46 4.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.927 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -153.92 114.68 4.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 75.04 110.95 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.82 -103.92 0.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 63.35 112.531 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 49.45 38.2 13.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.923 0.392 . . . . 65.33 110.89 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.94 81.08 1.3 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 64.22 112.488 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.8 m -66.96 -40.24 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 73.4 111.087 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -72.45 -31.59 65.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.875 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.49 -22.49 66.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 65.41 110.886 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.2 m -68.67 -62.09 1.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 63.22 111.139 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -69.52 -28.69 66.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 73.45 110.851 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.2 m -63.95 -24.94 67.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 63.04 110.884 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.81 60.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 55.23 112.489 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -55.33 -25.95 37.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 60.34 110.937 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 98.1 p -71.46 -54.13 11.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.816 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 p -69.38 -29.37 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 74.43 111.112 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -71.42 -26.26 62.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 74.14 110.898 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 21.5 t-105 -61.46 -54.25 45.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.937 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.75 -41.66 90.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 63.1 112.473 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.35 -36.49 83.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 72.12 110.869 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.86 -31.79 71.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 73.44 111.108 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -68.34 -53.39 24.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 62.33 110.895 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 t -53.11 -29.03 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 71.32 110.853 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.77 59.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 60.33 111.116 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.15 -40.23 14.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 70.3 112.462 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.3 t -56.33 -34.02 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 62.52 111.127 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -64.6 -42.11 95.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 74.52 110.891 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -65.91 -36.28 82.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.845 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.3 -42.95 92.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 71.32 110.891 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.92 -25.83 68.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 73.44 111.083 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -83.71 -26.45 29.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 71.34 110.873 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.56 122.73 4.24 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.691 -0.766 . . . . 11.53 112.483 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.66 -71.85 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.778 -0.725 . . . . 41.42 112.513 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -96.67 68.51 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 74.12 110.848 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -102.41 98.41 1.7 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 50.32 112.469 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -90.87 -34.64 15.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 73.32 110.863 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 68.5 p-90 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 60.01 110.92 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.746 0.308 . . . . 64.41 110.886 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -85.52 144.03 28.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.262 -0.426 . . . . 71.51 110.912 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -149.68 104.1 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 75.11 110.896 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.62 -150.83 22.26 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 72.01 112.47 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 49.41 55.72 8.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.855 0.36 . . . . 72.42 110.887 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.02 82.41 0.42 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.743 . . . . 51.23 112.493 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.0 m -66.73 -39.88 84.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 70.35 111.129 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -72.64 -32.27 65.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.83 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.686 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -62.94 -22.17 66.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 74.55 110.92 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.8 m -68.61 -62.19 1.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 54.21 111.153 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -69.54 -28.84 66.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.902 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.1 t -63.86 -24.83 67.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 75.22 110.856 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.428 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 148.64 60.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 24.51 112.468 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -55.67 -25.35 39.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 74.31 110.888 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.9 p -71.46 -51.77 22.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 73.51 110.891 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 13' ' ' GLY . 11.2 p -69.34 -25.08 28.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 73.42 111.12 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.686 ' OD1' HD11 ' A' ' 9' ' ' LEU . 5.0 t30 -65.5 -53.66 39.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 64.42 110.884 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -62.31 -53.63 52.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 71.22 110.924 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.58 -38.77 64.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.697 -0.763 . . . . 50.35 112.505 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -66.3 -42.79 87.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 70.03 110.86 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.66 81.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 75.11 111.106 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -68.12 -38.11 81.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 71.54 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 m -52.36 -31.71 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 73.52 110.831 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.35 -41.76 94.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 61.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.77 -44.02 57.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.779 -0.724 . . . . 71.32 112.467 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.3 t -54.85 -32.79 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 52.32 111.126 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -63.52 -43.51 96.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 75.04 110.854 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.3 ttp85 -65.23 -34.9 79.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.899 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mp -61.97 -51.09 69.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.98 -58.13 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 73.15 111.147 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -82.71 64.76 7.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.942 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.65 -116.74 0.38 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.746 . . . . 73.21 112.509 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.99 79.9 1.78 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 63.2 112.531 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -142.4 136.53 29.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 70.3 110.915 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.97 25.01 15.06 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.724 -0.75 . . . . 62.33 112.491 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -89.89 105.01 17.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 71.03 110.873 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 71.23 110.969 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.783 0.325 . . . . 74.24 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -80.72 79.92 7.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 75.54 110.878 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -150.35 110.75 4.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 70.03 110.924 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.9 111.31 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.767 . . . . 44.22 112.446 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -161.86 83.97 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.348 . . . . 74.32 110.886 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.88 -20.84 41.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 72.05 112.482 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.7 -40.0 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 72.42 111.141 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -72.57 -28.79 63.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 74.25 110.807 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.71 -28.64 67.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 75.13 110.901 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.0 m -68.69 -61.98 1.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 75.53 111.186 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -61.55 -31.23 71.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 75.2 110.886 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.5 t -64.13 -67.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 65.43 110.819 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.1 61.5 0.29 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 74.53 112.482 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 pp -55.3 -28.72 55.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 72.2 110.924 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.5 t -71.41 -51.55 23.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 63.11 110.87 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.2 p -69.33 -27.92 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 75.02 111.108 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -72.78 -26.3 61.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.93 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -58.48 -57.01 14.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 74.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.33 -42.61 74.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 52.04 112.485 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -63.62 -39.1 93.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 74.01 110.916 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -67.81 -33.05 74.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.0 111.088 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.705 ' O ' HG23 ' A' ' 26' ' ' VAL . 14.1 t80 -61.17 -64.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 71.32 110.915 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 m -55.4 -26.59 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 53.14 110.847 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . -52.88 -63.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 41.33 111.122 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.74 -31.37 73.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.763 . . . . 42.22 112.466 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 22' ' ' PHE . 93.5 t -56.67 -31.89 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 73.24 111.12 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -63.22 -38.64 91.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.86 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -69.87 -37.49 76.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 72.22 110.857 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.7 -37.52 86.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 71.22 110.932 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.42 -25.22 66.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 54.32 111.103 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -82.34 79.66 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 75.35 110.914 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 129.99 -39.41 1.82 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 75.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.47 -19.54 77.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 74.41 112.498 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 60.88 31.0 19.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 63.45 110.886 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -111.67 81.83 0.29 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.723 . . . . 72.34 112.484 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -86.45 83.52 7.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 73.32 110.833 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.3 m95 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 73.31 110.931 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.774 0.321 . . . . 75.05 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -84.57 171.48 12.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.4 110.894 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -153.17 120.4 5.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 74.3 110.931 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.95 26.82 14.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 51.3 112.515 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -69.64 85.17 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 73.23 110.82 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.53 80.74 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 72.42 112.475 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.9 m -66.58 -39.99 85.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.885 0.374 . . . . 62.02 111.145 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -72.67 -30.75 64.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 72.51 110.846 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.91 -23.23 67.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 75.3 110.921 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.9 m -68.73 -61.87 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 72.23 111.139 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -68.73 -28.82 67.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 75.4 110.899 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.6 t -64.2 -26.09 68.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 74.04 110.832 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.679 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 150.09 60.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.689 -0.767 . . . . 72.12 112.459 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 pp -56.71 -20.94 24.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.343 . . . . 74.03 110.914 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m -63.18 -26.97 69.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 54.41 110.846 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.679 HG12 ' O ' ' A' ' 13' ' ' GLY . 6.1 p -69.35 -21.99 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 61.24 111.173 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -69.54 -40.43 76.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 75.21 110.867 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -56.37 -53.46 57.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.474 . . . . 74.22 110.896 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.93 -41.51 59.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.793 -0.718 . . . . 61.41 112.478 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -66.55 -49.47 66.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 53.11 110.898 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.53 -35.65 76.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 72.22 111.141 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -62.89 -48.89 77.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.04 110.851 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.2 t -60.43 -30.61 69.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.863 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.54 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 64.24 111.09 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.66 -34.78 38.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 72.13 112.482 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.6 t -56.16 -32.46 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 72.14 111.153 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -64.86 -44.48 89.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 52.25 110.851 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -64.41 -36.71 85.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 74.2 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.65 -41.21 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 65.25 110.917 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.56 78.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 73.54 111.089 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -83.94 -68.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.865 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -109.2 81.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.674 -0.774 . . . . 61.4 112.452 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.46 -72.51 1.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.785 -0.722 . . . . 63.03 112.481 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -144.01 105.63 4.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.852 0.358 . . . . 64.43 110.902 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.92 -101.92 0.65 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 34.32 112.495 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -90.8 -28.72 18.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 74.4 110.862 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.0 t90 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 73.5 110.855 -179.89 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.839 0.352 . . . . 62.11 111.145 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -72.74 -50.82 22.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.915 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -63.61 -45.87 88.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 64.23 110.912 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.59 -34.29 85.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 71.43 112.45 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.92 -39.75 72.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 73.24 110.885 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.68 -33.71 75.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 73.01 111.113 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.647 ' O ' HG23 ' A' ' 26' ' ' VAL . 24.0 t80 -68.21 -44.39 75.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 65.34 110.891 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -52.22 -56.06 17.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.03 110.87 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.91 -35.3 72.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.23 111.135 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.28 -33.66 83.19 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.723 -0.751 . . . . 74.11 112.528 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 22' ' ' PHE . 57.4 t -56.66 -36.43 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 74.23 111.142 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -63.23 -39.96 96.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 52.14 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -37.18 80.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 70.51 110.874 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.19 -47.11 71.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.922 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 62.42 111.09 179.805 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.841 0.353 . . . . 73.22 111.096 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -72.76 -29.62 63.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 61.22 110.868 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -67.57 -54.92 15.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 72.44 110.93 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.46 -36.83 64.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.685 -0.769 . . . . 72.23 112.478 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -70.25 -44.22 68.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 61.02 110.853 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.09 -34.84 78.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 74.32 111.117 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.6 t80 -59.54 -51.5 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.884 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -53.74 -41.72 67.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.83 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.93 -58.21 9.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 75.3 111.121 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.58 -36.26 47.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 74.41 112.512 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 22' ' ' PHE . 91.4 t -58.33 -32.17 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 71.24 111.139 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -63.22 -43.0 99.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.839 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -69.83 -37.71 76.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 71.05 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 29' ' ' LEU . 13.2 mt -60.95 -37.48 82.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 64.32 110.861 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 64.21 111.122 179.788 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.837 0.351 . . . . 55.44 111.116 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -72.75 -26.91 61.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 71.5 110.863 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -55.89 -49.69 72.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.906 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.91 -40.12 96.43 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.791 -0.719 . . . . 64.32 112.487 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -67.42 -41.63 84.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.338 . . . . 53.11 110.878 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.1 -32.1 73.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 60.51 111.062 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -64.65 -55.51 19.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 75.54 110.884 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 t -59.02 -31.92 69.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 62.41 110.879 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.7 93.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 52.13 111.095 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.83 -49.46 78.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.676 -0.774 . . . . 71.42 112.512 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.84 -38.71 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 74.31 111.155 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -63.68 -41.59 98.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 72.02 110.872 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -38.75 87.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 71.33 110.834 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.2 mt -62.03 -51.68 67.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 73.44 110.948 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 70.1 111.111 179.811 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.82 0.343 . . . . 64.54 111.103 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -70.39 -37.17 74.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 64.25 110.902 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -62.95 -51.5 66.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.893 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.33 -37.57 94.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 73.21 112.516 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.3 -39.93 81.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.856 0.36 . . . . 60.13 110.874 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.18 -31.37 71.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 52.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -67.9 -48.88 64.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 73.2 110.863 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 m -53.84 -41.21 67.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.02 110.838 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.47 78.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 73.22 111.099 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.52 -38.08 95.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 73.22 112.515 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.74 -37.11 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 60.31 111.115 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -63.41 -42.76 98.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 65.35 110.873 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -65.46 -42.12 92.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.918 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.45 -42.96 91.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 55.21 110.945 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 70.35 111.077 179.806 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.829 0.347 . . . . 74.15 111.138 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -65.57 -56.57 11.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.894 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -67.68 -43.1 80.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.907 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.62 -51.8 41.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 52.4 112.456 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.8 -43.6 95.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 72.12 110.905 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.65 -32.21 72.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.15 111.123 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -67.25 -55.98 11.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 72.12 110.897 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t -52.48 -48.08 66.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.886 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.03 67.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.51 . . . . 72.04 111.074 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.58 -29.55 71.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 52.1 112.456 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.4 t -58.8 -34.88 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 75.11 111.16 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -63.39 -41.88 98.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 63.41 110.855 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -67.03 -37.11 83.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 72.2 110.904 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.83 -37.14 81.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 73.53 110.948 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 53.12 111.108 179.838 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.826 0.346 . . . . 63.14 111.136 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -65.44 -41.55 93.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 63.14 110.88 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -56.49 -53.38 58.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 72.23 110.88 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.17 -36.8 57.62 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 60.33 112.472 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -71.02 -42.39 69.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 64.21 110.883 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.22 -41.43 85.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 62.54 111.062 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -54.69 -63.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 71.51 110.893 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 m -52.77 -37.14 59.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 71.25 110.864 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.79 -31.62 66.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 75.41 111.077 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.9 -41.41 14.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.767 -0.73 . . . . 44.43 112.472 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.1 t -57.21 -34.71 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 74.42 111.097 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -63.51 -40.35 96.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 73.52 110.843 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -69.69 -43.27 72.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.858 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.97 -28.56 69.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 62.13 110.897 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 44.44 111.047 179.829 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.806 0.336 . . . . 61.41 111.108 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -65.48 -38.47 89.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.44 110.927 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -55.5 -53.64 53.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.932 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.96 -36.05 50.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.729 . . . . 71.14 112.477 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -71.94 -48.3 46.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 71.14 110.909 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.86 84.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 31.35 111.078 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -54.6 -58.53 7.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 61.22 110.84 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -52.22 -38.09 56.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 73.33 110.881 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.53 97.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 70.13 111.108 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.44 -50.81 61.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 62.42 112.463 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.71 -38.07 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 53.24 111.144 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -64.06 -41.63 97.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 73.43 110.828 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -66.62 -45.88 77.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 65.25 110.891 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 mt -65.85 -29.39 69.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 70.22 110.912 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 52.2 111.119 179.806 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.872 0.368 . . . . 51.31 111.156 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -65.58 -42.87 91.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 73.33 110.9 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 24.9 t-105 -55.64 -53.25 58.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.944 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.8 -43.99 97.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.667 -0.778 . . . . 52.02 112.51 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -63.37 -44.67 94.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 72.14 110.889 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.22 -31.83 73.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 70.13 111.116 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -62.3 -63.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 71.35 110.859 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.0 m -58.73 -29.55 66.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.831 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.54 77.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 74.53 111.078 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.49 -42.05 99.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 75.41 112.444 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.7 t -56.46 -42.86 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.36 . . . . 73.2 111.176 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -63.21 -39.66 95.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 71.12 110.906 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -68.52 -38.45 80.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.824 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.0 mt -63.58 -47.33 81.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 72.33 110.902 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 73.5 111.139 179.769 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.813 0.34 . . . . 65.2 111.09 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -71.36 -39.51 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 61.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -60.69 -53.34 58.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 65.52 110.934 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.57 -38.78 52.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 64.35 112.489 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -68.83 -40.93 79.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 75.21 110.871 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.22 -38.83 85.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 73.12 111.09 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -62.96 -42.78 99.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.903 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -55.21 -46.8 75.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 62.44 110.827 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -44.44 92.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 70.13 111.116 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.26 -30.95 56.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 51.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.55 -38.32 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 73.02 111.145 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -65.57 -39.59 91.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 61.03 110.858 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.98 -39.24 79.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.834 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 mt -66.37 -35.22 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 72.4 110.919 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 72.34 111.1 179.771 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.783 0.325 . . . . 73.32 111.102 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -72.73 -26.58 61.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.951 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -67.6 -51.75 46.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 64.15 110.919 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.65 -41.58 95.77 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 63.45 112.484 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.54 -38.33 90.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 64.23 110.861 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.65 -35.3 78.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 52.21 111.079 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -67.22 -53.62 28.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 71.24 110.859 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -55.76 -41.13 73.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.872 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.16 -30.0 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 73.24 111.094 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.59 -40.9 31.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.711 -0.757 . . . . 60.34 112.437 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.8 t -55.83 -38.51 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 74.42 111.125 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -64.16 -39.61 94.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 62.04 110.838 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -69.18 -39.83 78.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 75.02 110.874 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.96 -39.18 93.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.93 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.34 111.144 179.783 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.849 0.357 . . . . 61.34 111.129 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -68.82 -51.05 44.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 61.35 110.902 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -55.36 -46.8 76.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.42 -48.4 86.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 62.45 112.486 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.78 -44.52 93.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 73.21 110.889 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.5 -38.68 91.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 74.02 111.077 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -58.07 -52.62 64.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.877 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.9 p -56.14 -46.01 79.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.837 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.26 -30.5 62.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 50.25 111.106 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.56 -38.33 61.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 53.31 112.511 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.27 -35.1 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 73.04 111.136 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -63.41 -42.97 98.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.879 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -67.44 -37.45 83.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.823 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.92 -47.51 86.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 72.2 110.913 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 73.52 111.131 179.764 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.458 -0.04 0 CA-C-O 120.823 0.344 . . . . 51.33 111.119 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -65.58 -48.92 70.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 74.1 110.895 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -61.89 -57.81 10.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 73.42 110.931 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.25 -41.85 54.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 42.02 112.523 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -65.99 -45.59 81.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.363 . . . . 71.53 110.919 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.28 -34.74 77.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 73.44 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.625 ' O ' HG23 ' A' ' 26' ' ' VAL . 66.8 t80 -63.37 -49.73 72.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 73.21 110.92 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -55.54 -38.27 69.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 70.31 110.918 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.42 -56.33 22.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 75.53 111.053 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.81 -40.89 97.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.765 -0.731 . . . . 71.44 112.473 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 22' ' ' PHE . 89.1 t -54.78 -32.21 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 75.23 111.126 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -63.18 -43.21 98.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 60.12 110.886 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -69.89 -27.1 64.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.871 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.16 -49.81 63.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 71.32 110.895 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.32 111.048 179.838 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.856 0.36 . . . . 74.31 111.158 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.37 -33.33 67.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 44.23 110.867 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -56.52 -58.6 7.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.906 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.48 -43.14 85.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 60.01 112.451 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.26 -46.26 87.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 73.41 110.913 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.68 -43.07 98.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 63.4 111.11 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 26' ' ' VAL . 3.4 t80 -54.61 -59.1 5.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 74.21 110.891 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 p -56.38 -46.81 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 64.12 110.818 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.4 -29.16 63.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 53.3 111.112 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.88 -30.85 34.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 74.11 112.479 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 22' ' ' PHE . 87.1 t -60.29 -33.04 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 74.44 111.097 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -63.71 -44.52 93.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.834 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -65.75 -39.79 91.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 72.34 110.871 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.33 -42.3 99.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.93 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 41.03 111.109 179.788 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.861 0.362 . . . . 51.15 111.15 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -72.72 -45.25 59.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 70.23 110.931 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -64.19 -47.91 77.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 74.4 110.9 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.34 -43.54 98.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 50.04 112.497 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -63.34 -44.3 95.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 75.53 110.88 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.68 81.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 73.21 111.079 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -61.66 -53.32 57.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 75.52 110.868 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.9 t -52.11 -34.16 42.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 62.22 110.847 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.29 91.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 61.24 111.134 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.91 -34.07 43.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 72.33 112.478 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.5 t -58.75 -38.16 70.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.881 0.372 . . . . 74.42 111.17 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -64.95 -40.57 95.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 64.32 110.865 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -68.42 -37.55 80.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 73.24 110.828 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.9 mt -66.98 -37.66 84.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 65.53 111.135 179.8 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.778 0.323 . . . . 71.32 111.098 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -69.78 -30.39 67.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 64.04 110.859 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -59.29 -48.32 82.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.94 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.23 -40.3 98.81 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.784 -0.722 . . . . 65.31 112.482 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.49 -43.34 85.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.856 0.36 . . . . 75.32 110.886 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.96 -35.07 79.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 70.24 111.132 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.25 -47.96 69.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 74.51 110.869 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m -59.24 -27.04 65.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 42.43 110.903 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.99 -52.16 61.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 34.21 111.127 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.38 -42.41 93.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 62.13 112.447 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.0 t -57.54 -34.05 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 75.33 111.118 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -64.09 -41.03 97.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.891 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -67.65 -47.71 68.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 70.51 110.888 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 mt -61.55 -30.08 70.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 72.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 63.32 111.108 179.816 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.821 0.344 . . . . 73.12 111.099 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -71.48 -27.83 63.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.875 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -57.84 -49.97 74.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.154 -0.476 . . . . 74.53 110.889 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.06 -42.95 98.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 70.4 112.474 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -65.58 -40.49 92.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.358 . . . . 72.44 110.889 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.24 86.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 64.22 111.127 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -64.41 -43.95 92.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 64.33 110.893 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -55.62 -37.03 67.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 70.24 110.821 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.23 -35.6 75.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.11 111.158 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.38 -49.34 20.46 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.717 -0.754 . . . . 71.25 112.452 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.5 t -57.39 -32.39 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.924 0.392 . . . . 70.51 111.151 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -63.33 -43.13 98.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.916 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -69.36 -26.52 64.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.41 110.885 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.57 -54.13 22.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 61.21 110.931 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 73.54 111.079 179.83 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.801 0.334 . . . . 74.43 111.112 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -71.42 -26.26 62.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 74.14 110.898 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 21.5 t-105 -61.46 -54.25 45.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.937 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.75 -41.66 90.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 63.1 112.473 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.35 -36.49 83.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 72.12 110.869 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.86 -31.79 71.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 73.44 111.108 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -68.34 -53.39 24.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 62.33 110.895 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 t -53.11 -29.03 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 71.32 110.853 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.77 59.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 60.33 111.116 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.15 -40.23 14.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 70.3 112.462 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.3 t -56.33 -34.02 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 62.52 111.127 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -64.6 -42.11 95.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 74.52 110.891 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -65.91 -36.28 82.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.845 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.3 -42.95 92.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 71.32 110.891 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 73.44 111.083 179.848 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.882 0.372 . . . . 73.42 111.12 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -65.5 -53.66 39.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 64.42 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -62.31 -53.63 52.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 71.22 110.924 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.58 -38.77 64.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.697 -0.763 . . . . 50.35 112.505 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -66.3 -42.79 87.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 70.03 110.86 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.66 81.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 75.11 111.106 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -68.12 -38.11 81.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 71.54 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 m -52.36 -31.71 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 73.52 110.831 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.35 -41.76 94.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 61.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.77 -44.02 57.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.779 -0.724 . . . . 71.32 112.467 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.3 t -54.85 -32.79 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 52.32 111.126 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -63.52 -43.51 96.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 75.04 110.854 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.3 ttp85 -65.23 -34.9 79.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.899 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mp -61.97 -51.09 69.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 73.15 111.147 179.742 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.862 0.363 . . . . 75.02 111.108 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -72.78 -26.3 61.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.93 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -58.48 -57.01 14.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 74.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.33 -42.61 74.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 52.04 112.485 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -63.62 -39.1 93.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 74.01 110.916 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.488 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -67.81 -33.05 74.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.0 111.088 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.705 ' O ' HG23 ' A' ' 26' ' ' VAL . 14.1 t80 -61.17 -64.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 71.32 110.915 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 m -55.4 -26.59 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 53.14 110.847 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . -52.88 -63.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 41.33 111.122 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.74 -31.37 73.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.763 . . . . 42.22 112.466 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 22' ' ' PHE . 93.5 t -56.67 -31.89 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 73.24 111.12 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -63.22 -38.64 91.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.86 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -69.87 -37.49 76.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 72.22 110.857 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.7 -37.52 86.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 71.22 110.932 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 54.32 111.103 179.772 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.857 0.36 . . . . 61.24 111.173 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -69.54 -40.43 76.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 75.21 110.867 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -56.37 -53.46 57.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.474 . . . . 74.22 110.896 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.93 -41.51 59.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.793 -0.718 . . . . 61.41 112.478 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -66.55 -49.47 66.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 53.11 110.898 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.53 -35.65 76.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 72.22 111.141 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -62.89 -48.89 77.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.04 110.851 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.2 t -60.43 -30.61 69.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.863 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.54 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 64.24 111.09 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.66 -34.78 38.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 72.13 112.482 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.6 t -56.16 -32.46 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 72.14 111.153 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -64.86 -44.48 89.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 52.25 110.851 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -64.41 -36.71 85.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 74.2 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.65 -41.21 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 65.25 110.917 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 73.54 111.089 179.819 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.352 . . . . 71.5 110.905 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -84.1 80.77 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 74.45 110.936 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -86.86 52.21 2.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 70.13 110.934 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.92 178.65 21.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 71.33 112.457 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -70.93 -34.97 72.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 74.22 110.887 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.3 -20.79 3.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 74.24 112.502 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.4 m -66.97 -40.13 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 74.33 111.134 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -72.43 -28.85 63.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 62.42 110.915 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.653 HD11 ' ND2' ' A' ' 17' ' ' ASN . 1.0 OUTLIER -69.14 -28.33 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.942 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.74 -61.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 71.04 111.136 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.64 -30.52 70.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 64.04 110.914 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.4 t -64.09 -67.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 70.43 110.87 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.409 ' O ' HG12 ' A' ' 16' ' ' VAL . . . -161.79 60.82 0.28 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.788 -0.72 . . . . 71.41 112.512 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 pp -55.43 -30.09 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 60.01 110.895 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.5 m -71.59 -50.64 29.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 71.45 110.882 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 13' ' ' GLY . 12.5 p -69.31 -25.14 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 62.11 111.145 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.653 ' ND2' HD11 ' A' ' 9' ' ' LEU . 14.6 t-20 -72.74 -50.82 22.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.915 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -63.61 -45.87 88.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 64.23 110.912 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.59 -34.29 85.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 71.43 112.45 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.92 -39.75 72.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 73.24 110.885 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.68 -33.71 75.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 73.01 111.113 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.647 ' O ' HG23 ' A' ' 26' ' ' VAL . 24.0 t80 -68.21 -44.39 75.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 65.34 110.891 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -52.22 -56.06 17.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.03 110.87 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.91 -35.3 72.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.23 111.135 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.28 -33.66 83.19 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.723 -0.751 . . . . 74.11 112.528 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 22' ' ' PHE . 57.4 t -56.66 -36.43 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 74.23 111.142 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -63.23 -39.96 96.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 52.14 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -37.18 80.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 70.51 110.874 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.19 -47.11 71.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.922 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.83 80.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 62.42 111.09 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -89.82 64.17 6.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 70.32 110.852 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.89 -55.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 54.21 112.504 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.5 -86.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 61.32 112.508 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -93.38 168.08 11.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.884 0.373 . . . . 60.11 110.882 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.97 131.38 1.63 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.791 -0.719 . . . . 75.34 112.517 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -95.54 25.68 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 63.45 110.894 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.104 -0.498 . . . . 75.44 110.928 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.78 0.324 . . . . 74.11 110.867 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -80.66 150.5 29.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.908 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -84.02 76.89 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 75.2 110.944 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.93 110.57 3.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 72.13 112.497 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -76.07 88.33 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 60.12 110.896 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.1 81.6 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 61.51 112.493 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.99 -40.25 85.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.342 . . . . 64.31 111.101 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -72.5 -31.42 65.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 74.34 110.836 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -22.56 66.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 54.33 110.919 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.5 m -68.58 -62.2 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 75.1 111.123 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -69.45 -28.66 66.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 61.32 110.898 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.9 t -63.98 -25.08 67.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 51.23 110.863 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.95 59.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 74.53 112.503 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -55.35 -25.97 38.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 71.44 110.935 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.7 t -71.44 -54.75 9.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.45 110.836 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.2 p -69.53 -27.27 33.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 73.22 111.096 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -72.76 -29.62 63.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 61.22 110.868 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -67.57 -54.92 15.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 72.44 110.93 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.46 -36.83 64.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.685 -0.769 . . . . 72.23 112.478 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -70.25 -44.22 68.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 61.02 110.853 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.09 -34.84 78.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 74.32 111.117 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.6 t80 -59.54 -51.5 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.884 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -53.74 -41.72 67.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.83 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.93 -58.21 9.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 75.3 111.121 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.58 -36.26 47.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 74.41 112.512 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 22' ' ' PHE . 91.4 t -58.33 -32.17 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 71.24 111.139 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -63.22 -43.0 99.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.839 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -69.83 -37.71 76.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 71.05 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 29' ' ' LEU . 13.2 mt -60.95 -37.48 82.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 64.32 110.861 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.16 -24.4 65.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 64.21 111.122 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -147.79 98.4 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 70.22 110.886 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.98 23.97 6.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 53.43 112.46 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.04 -35.62 3.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 73.33 112.519 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -88.02 168.13 13.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 65.32 110.867 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.96 78.9 0.22 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.677 -0.773 . . . . 52.33 112.477 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -93.13 -36.49 12.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.879 0.371 . . . . 72.4 110.905 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 72.01 110.875 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.729 0.299 . . . . 65.45 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -152.17 157.24 41.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 43.54 110.954 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -86.67 -26.5 24.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 74.2 110.873 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.78 156.74 21.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.723 . . . . 63.51 112.484 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -161.96 88.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 72.15 110.872 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.98 81.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 75.44 112.488 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.8 m -67.0 -40.2 85.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 64.44 111.14 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -72.52 -31.41 65.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.86 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.52 -22.51 66.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.889 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.3 m -68.61 -62.18 1.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 54.22 111.116 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -69.47 -28.8 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 62.53 110.951 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m -63.91 -25.16 68.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.886 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.09 60.23 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.724 -0.751 . . . . 62.5 112.483 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -55.47 -25.83 38.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 74.24 110.896 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 p -71.37 -54.31 11.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 71.24 110.843 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.6 -28.62 38.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 55.44 111.116 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -72.75 -26.91 61.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 71.5 110.863 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -55.89 -49.69 72.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.906 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.91 -40.12 96.43 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.791 -0.719 . . . . 64.32 112.487 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -67.42 -41.63 84.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.338 . . . . 53.11 110.878 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.1 -32.1 73.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 60.51 111.062 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -64.65 -55.51 19.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 75.54 110.884 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.9 t -59.02 -31.92 69.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 62.41 110.879 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.7 93.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 52.13 111.095 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.83 -49.46 78.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.676 -0.774 . . . . 71.42 112.512 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.84 -38.71 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 74.31 111.155 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -63.68 -41.59 98.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 72.02 110.872 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -38.75 87.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 71.33 110.834 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.2 mt -62.03 -51.68 67.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 73.44 110.948 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.06 -50.95 71.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 70.1 111.111 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -90.28 81.48 6.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.905 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 153.83 -59.71 0.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 35.4 112.495 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.9 90.92 0.91 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.712 -0.756 . . . . 53.21 112.47 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -97.0 126.77 42.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 70.21 110.848 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.95 -62.25 2.95 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.797 -0.716 . . . . 73.41 112.505 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -86.55 90.65 8.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 74.13 110.891 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 75.13 110.943 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.809 0.338 . . . . 64.21 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 51.97 31.03 8.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 73.52 110.912 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -82.94 67.17 8.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 71.44 110.883 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.8 108.73 2.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 73.42 112.527 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -70.05 -41.67 73.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.857 0.361 . . . . 74.11 110.926 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 57.47 81.73 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.769 . . . . 75.13 112.539 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.95 -40.29 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.378 . . . . 73.3 111.117 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -72.48 -32.11 65.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.863 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.46 -22.71 66.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 72.44 110.915 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.4 m -68.63 -62.09 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 61.41 111.194 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -69.38 -28.09 65.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.41 110.888 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.3 t -63.99 -25.02 67.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.846 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.48 59.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 70.23 112.475 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.461 HD12 ' CH2' ' A' ' 18' ' ' TRP . 2.3 pt? -55.47 -25.85 39.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.77 0.319 . . . . 51.03 110.878 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.6 m -71.46 -55.61 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.864 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.49 -25.27 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 64.54 111.103 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -70.39 -37.17 74.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 64.25 110.902 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.461 ' CH2' HD12 ' A' ' 14' ' ' LEU . 6.9 m0 -62.95 -51.5 66.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.893 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.33 -37.57 94.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 73.21 112.516 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.3 -39.93 81.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.856 0.36 . . . . 60.13 110.874 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.18 -31.37 71.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 52.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -67.9 -48.88 64.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 73.2 110.863 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 m -53.84 -41.21 67.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.02 110.838 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.47 78.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 73.22 111.099 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.52 -38.08 95.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 73.22 112.515 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.74 -37.11 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 60.31 111.115 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -63.41 -42.76 98.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 65.35 110.873 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -65.46 -42.12 92.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.918 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.45 -42.96 91.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 55.21 110.945 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.27 78.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 70.35 111.077 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -82.98 68.51 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.885 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.51 -71.05 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.74 . . . . 53.04 112.526 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.49 -24.74 67.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 42.24 112.533 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -89.75 -53.5 4.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.864 0.364 . . . . 72.21 110.894 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.42 91.97 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 60.31 112.522 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -87.73 151.42 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 73.31 110.912 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 41.2 m95 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.924 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 40.3 tptt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.811 0.339 . . . . 75.42 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -84.73 94.21 8.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 63.23 110.905 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -87.97 -27.61 21.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 70.11 110.895 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.27 -127.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 74.1 112.476 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -76.35 67.55 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 71.42 110.888 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -112.57 -20.32 6.6 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 41.24 112.462 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.98 -40.23 85.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 61.32 111.139 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -72.49 -31.12 65.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 73.43 110.887 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.582 HD21 ' ND2' ' A' ' 17' ' ' ASN . 1.0 OUTLIER -62.49 -22.6 66.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 72.03 110.919 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.2 m -68.6 -62.19 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 62.31 111.138 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -69.41 -28.18 65.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 72.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -63.97 -25.07 67.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 65.04 110.836 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.414 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 148.64 59.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 65.43 112.489 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -55.46 -25.82 38.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 74.24 110.937 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.5 t -71.49 -52.02 20.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 62.4 110.871 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 13' ' ' GLY . 11.9 p -69.39 -25.54 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 74.15 111.138 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.582 ' ND2' HD21 ' A' ' 9' ' ' LEU . 5.6 t30 -65.57 -56.57 11.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.894 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -67.68 -43.1 80.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.907 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.62 -51.8 41.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 52.4 112.456 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.8 -43.6 95.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 72.12 110.905 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.65 -32.21 72.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.15 111.123 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -67.25 -55.98 11.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 72.12 110.897 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t -52.48 -48.08 66.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.886 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.03 67.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.079 -0.51 . . . . 72.04 111.074 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.58 -29.55 71.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 52.1 112.456 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.4 t -58.8 -34.88 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 75.11 111.16 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -63.39 -41.88 98.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 63.41 110.855 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -67.03 -37.11 83.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 72.2 110.904 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.83 -37.14 81.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 73.53 110.948 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.43 -29.64 69.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 53.12 111.108 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -88.66 -39.28 14.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 62.22 110.897 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.5 120.15 3.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.805 -0.712 . . . . 62.54 112.474 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.88 80.84 1.56 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.743 . . . . 74.01 112.496 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -146.64 149.34 33.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 72.11 110.901 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.84 91.62 1.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.665 -0.779 . . . . 74.31 112.519 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -87.12 120.5 28.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 72.32 110.933 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.9 t90 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.929 -179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.781 0.324 . . . . 71.25 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -84.37 164.69 18.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 64.23 110.891 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -88.62 -56.32 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 72.24 110.907 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.53 -83.19 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.689 -0.767 . . . . 33.53 112.453 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -69.26 -66.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 55.14 110.881 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.22 -20.64 37.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 70.01 112.49 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.54 -40.08 85.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.369 . . . . 73.41 111.137 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -72.53 -32.33 66.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 72.43 110.851 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.609 HD11 ' ND2' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -62.41 -22.51 66.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 74.25 110.949 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.3 m -68.51 -62.23 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 65.41 111.158 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -69.56 -28.68 66.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 73.53 110.931 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.0 t -63.98 -24.8 67.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 71.2 110.812 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.422 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 148.6 60.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 72.33 112.503 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -55.61 -25.45 38.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 64.14 110.893 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.0 p -71.49 -51.78 21.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.883 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 13' ' ' GLY . 11.3 p -69.37 -25.08 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 63.14 111.136 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.609 ' ND2' HD11 ' A' ' 9' ' ' LEU . 2.8 t-20 -65.44 -41.55 93.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 63.14 110.88 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -56.49 -53.38 58.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 72.23 110.88 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.17 -36.8 57.62 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 60.33 112.472 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -71.02 -42.39 69.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 64.21 110.883 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.22 -41.43 85.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 62.54 111.062 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -54.69 -63.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 71.51 110.893 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 m -52.77 -37.14 59.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 71.25 110.864 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.79 -31.62 66.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 75.41 111.077 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.9 -41.41 14.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.767 -0.73 . . . . 44.43 112.472 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.1 t -57.21 -34.71 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 74.42 111.097 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -63.51 -40.35 96.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 73.52 110.843 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -69.69 -43.27 72.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.858 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.97 -28.56 69.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 62.13 110.897 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.92 92.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 44.44 111.047 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -84.94 76.95 10.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 74.55 110.889 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.43 65.26 2.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 33.11 112.516 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.63 54.33 0.78 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 71.1 112.487 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -93.94 139.46 30.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 73.35 110.913 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.81 151.49 18.29 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.697 -0.763 . . . . 61.41 112.5 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -149.67 150.19 31.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.352 . . . . 72.13 110.894 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 94.3 m95 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.948 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.3 tttt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.802 0.335 . . . . 73.0 110.924 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -83.66 80.07 9.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 62.14 110.936 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -88.41 69.29 8.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 62.33 110.91 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.44 165.57 28.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 64.43 112.529 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -71.58 -39.36 70.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 73.45 110.919 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.28 -21.04 0.56 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 64.25 112.449 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.9 m -66.55 -39.96 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 72.12 111.152 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 -72.57 -31.44 65.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.31 110.81 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.585 HD21 ' OD1' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -62.44 -22.5 66.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 72.15 110.903 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.4 m -68.6 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 74.23 111.137 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.53 -28.7 66.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 65.42 110.877 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.5 m -63.87 -24.44 67.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 72.41 110.889 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.427 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 147.97 60.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.72 -0.753 . . . . 62.44 112.478 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -55.6 -25.46 38.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.739 0.304 . . . . 64.44 110.888 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 p -71.46 -51.97 20.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 75.14 110.86 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 13' ' ' GLY . 11.5 p -69.36 -25.24 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 61.41 111.108 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.585 ' OD1' HD21 ' A' ' 9' ' ' LEU . 2.6 t-20 -65.48 -38.47 89.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.44 110.927 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -55.5 -53.64 53.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.932 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.96 -36.05 50.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.729 . . . . 71.14 112.477 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -71.94 -48.3 46.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 71.14 110.909 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.86 84.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 31.35 111.078 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -54.6 -58.53 7.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 61.22 110.84 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -52.22 -38.09 56.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 73.33 110.881 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.53 97.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 70.13 111.108 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.44 -50.81 61.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 62.42 112.463 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.6 t -56.71 -38.07 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 53.24 111.144 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -64.06 -41.63 97.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 73.43 110.828 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -66.62 -45.88 77.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 65.25 110.891 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 mt -65.85 -29.39 69.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 70.22 110.912 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.84 84.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 52.2 111.119 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -85.02 -61.16 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 61.44 110.858 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.22 82.94 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.762 -0.732 . . . . 54.05 112.471 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.24 97.47 1.26 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.741 . . . . 64.44 112.473 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -89.57 88.39 7.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 75.33 110.891 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.44 -161.74 9.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 63.12 112.442 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -90.19 174.67 7.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 74.01 110.912 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.2 t-105 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 71.42 110.886 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.825 0.345 . . . . 71.03 110.89 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -152.79 127.01 9.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.897 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 56.74 41.74 27.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 65.34 110.919 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.07 -139.95 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 73.21 112.505 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.432 ' HB3' HG22 ' A' ' 7' ' ' VAL . 40.1 m-20 -69.14 -74.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.861 0.362 . . . . 74.23 110.891 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.03 -19.75 47.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 43.43 112.483 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.432 HG22 ' HB3' ' A' ' 5' ' ' ASN . 30.4 m -66.93 -40.14 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 71.12 111.115 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -72.53 -34.71 67.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 73.51 110.836 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.579 HD21 ' OD1' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -62.47 -22.61 66.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 65.23 110.877 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 m -68.57 -62.16 1.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 61.14 111.15 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -69.42 -28.7 66.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.886 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.6 t -63.92 -24.08 67.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 74.41 110.838 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.416 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 147.6 60.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 45.04 112.501 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -55.63 -25.41 38.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 53.12 110.893 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 t -71.51 -51.96 20.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 74.41 110.808 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 13' ' ' GLY . 11.6 p -69.34 -25.23 28.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 51.31 111.156 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.579 ' OD1' HD21 ' A' ' 9' ' ' LEU . 2.6 t-20 -65.58 -42.87 91.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 73.33 110.9 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 24.9 t-105 -55.64 -53.25 58.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.944 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.8 -43.99 97.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.667 -0.778 . . . . 52.02 112.51 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -63.37 -44.67 94.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 72.14 110.889 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.22 -31.83 73.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 70.13 111.116 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -62.3 -63.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 71.35 110.859 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.0 m -58.73 -29.55 66.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.831 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.54 77.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 74.53 111.078 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.49 -42.05 99.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 75.41 112.444 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.7 t -56.46 -42.86 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.36 . . . . 73.2 111.176 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -63.21 -39.66 95.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 71.12 110.906 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -68.52 -38.45 80.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.824 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.0 mt -63.58 -47.33 81.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 72.33 110.902 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.75 -50.78 69.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 73.5 111.139 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -85.01 74.95 10.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 51.25 110.866 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.86 -26.46 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 75.42 112.497 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.66 73.37 1.21 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 73.23 112.485 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -96.42 -56.86 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 65.23 110.922 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.55 -118.48 1.37 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 61.24 112.491 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -144.79 173.08 12.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 64.43 110.858 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 27.5 t90 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.89 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 71.12 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -83.16 90.47 7.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 70.51 110.939 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -155.93 109.21 2.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 74.01 110.907 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.48 156.64 7.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 63.43 112.477 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -70.48 -26.18 63.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 74.25 110.874 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.45 -20.2 1.87 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 44.23 112.503 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.3 m -66.93 -40.24 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 73.03 111.091 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -72.52 -31.65 65.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.5 110.844 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.632 HD11 ' ND2' ' A' ' 17' ' ' ASN . 1.0 OUTLIER -62.46 -22.88 66.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 75.44 110.922 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.0 m -68.61 -62.07 1.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 72.11 111.154 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -27.45 65.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 73.35 110.908 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 t -63.91 -23.9 67.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.856 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.427 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 146.66 59.07 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.762 -0.732 . . . . 75.33 112.477 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -55.8 -24.97 39.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 72.11 110.879 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.2 m -71.46 -52.0 20.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.855 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 13' ' ' GLY . 11.7 p -69.37 -25.24 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 65.2 111.09 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.632 ' ND2' HD11 ' A' ' 9' ' ' LEU . 17.7 t-20 -71.36 -39.51 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 61.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -60.69 -53.34 58.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 65.52 110.934 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.57 -38.78 52.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 64.35 112.489 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -68.83 -40.93 79.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 75.21 110.871 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.22 -38.83 85.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 73.12 111.09 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -62.96 -42.78 99.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.903 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -55.21 -46.8 75.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 62.44 110.827 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -44.44 92.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 70.13 111.116 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.26 -30.95 56.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 51.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.55 -38.32 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 73.02 111.145 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -65.57 -39.59 91.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 61.03 110.858 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.98 -39.24 79.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.834 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 mt -66.37 -35.22 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 72.4 110.919 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.25 -35.32 75.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 72.34 111.1 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -86.76 -33.11 20.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.831 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -93.8 -121.62 3.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 72.43 112.462 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.74 65.57 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 64.3 112.498 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -148.76 158.8 44.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 72.41 110.899 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.38 131.48 3.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 63.14 112.479 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -90.62 -70.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 71.2 110.918 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.1 t90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 73.41 110.956 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.848 0.356 . . . . 74.01 110.938 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -158.12 133.8 9.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.45 110.909 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -81.7 81.04 7.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 73.42 110.96 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.74 -113.15 0.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 61.24 112.472 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.433 ' H ' ' ND2' ' A' ' 5' ' ' ASN . 2.5 p30 -76.32 77.93 3.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 74.34 110.888 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -109.96 -21.68 6.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 65.1 112.472 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.2 m -66.97 -40.27 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 75.32 111.102 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -72.52 -31.64 65.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 64.5 110.844 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.44 -23.98 67.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.892 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.5 m -68.65 -62.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 72.22 111.139 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -68.12 -28.27 67.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 72.31 110.943 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.9 m -64.01 -54.58 32.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 64.31 110.875 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.32 60.09 0.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 65.42 112.517 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -55.54 -25.62 38.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 64.21 110.888 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 t -71.57 -54.58 10.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 71.14 110.836 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.4 -29.73 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.32 111.102 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -72.73 -26.58 61.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.951 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -67.6 -51.75 46.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 64.15 110.919 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.65 -41.58 95.77 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.712 -0.756 . . . . 63.45 112.484 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.54 -38.33 90.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 64.23 110.861 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.65 -35.3 78.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 52.21 111.079 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -67.22 -53.62 28.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 71.24 110.859 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 t -55.76 -41.13 73.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.872 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.16 -30.0 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 73.24 111.094 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.59 -40.9 31.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.711 -0.757 . . . . 60.34 112.437 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.8 t -55.83 -38.51 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 74.42 111.125 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -64.16 -39.61 94.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 62.04 110.838 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -69.18 -39.83 78.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 75.02 110.874 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.96 -39.18 93.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.93 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.76 -33.65 71.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.34 111.144 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -85.67 -69.32 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 74.42 110.919 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.67 -104.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 24.31 112.487 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.22 -86.64 0.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.784 -0.722 . . . . 70.13 112.496 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -92.56 -37.64 12.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 72.52 110.862 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.13 44.44 3.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 72.42 112.503 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -94.1 -31.12 14.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.351 . . . . 72.44 110.881 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 26.9 t90 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.119 -0.491 . . . . 64.43 110.927 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.8 tptm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.764 0.316 . . . . 72.41 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 52.84 41.33 31.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 71.21 110.936 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -85.01 -36.66 21.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 70.22 110.889 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.95 -68.08 0.36 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 71.34 112.458 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -73.39 80.81 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 62.34 110.935 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.2 80.88 0.85 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 50.23 112.501 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.4 m -66.61 -39.96 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 71.42 111.113 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -72.66 -31.7 65.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 72.5 110.857 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.659 HD11 ' OD1' ' A' ' 17' ' ' ASN . 1.0 OUTLIER -62.78 -22.7 66.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 73.33 110.935 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.8 m -68.62 -62.13 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 70.1 111.157 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -69.33 -27.81 65.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 72.14 110.897 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.5 t -63.95 -24.99 67.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 55.12 110.84 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.403 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 148.26 59.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 60.33 112.485 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -55.49 -25.74 38.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 73.31 110.919 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.7 m -71.42 -52.15 20.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 71.54 110.886 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 13' ' ' GLY . 12.1 p -69.48 -25.48 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 61.34 111.129 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.659 ' OD1' HD11 ' A' ' 9' ' ' LEU . 22.2 t30 -68.82 -51.05 44.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 61.35 110.902 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -55.36 -46.8 76.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.42 -48.4 86.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 62.45 112.486 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.78 -44.52 93.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 73.21 110.889 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.5 -38.68 91.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 74.02 111.077 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -58.07 -52.62 64.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.877 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.9 p -56.14 -46.01 79.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.837 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.26 -30.5 62.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 50.25 111.106 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.56 -38.33 61.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 53.31 112.511 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.27 -35.1 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 73.04 111.136 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -63.41 -42.97 98.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.879 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -67.44 -37.45 83.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.823 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.92 -47.51 86.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 72.2 110.913 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.33 96.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 73.52 111.131 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -89.81 69.04 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.884 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.24 -68.4 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.73 . . . . 32.34 112.499 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.39 27.62 9.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 64.14 112.487 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -88.83 67.51 8.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.794 0.33 . . . . 74.44 110.86 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.82 -78.35 0.38 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 73.24 112.472 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -93.44 124.7 37.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 75.33 110.889 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 73.22 110.94 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.815 0.34 . . . . 61.12 110.913 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -80.42 177.59 8.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 71.32 110.899 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -152.17 115.06 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 71.02 110.9 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.21 -169.58 18.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.72 -0.752 . . . . 74.01 112.521 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -73.24 -27.29 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 73.11 110.869 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 129.16 -19.72 5.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 63.33 112.475 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.02 -40.29 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 72.33 111.119 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -72.45 -31.82 65.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 62.32 110.87 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.56 HD21 ' OD1' ' A' ' 17' ' ' ASN . 1.0 OUTLIER -62.49 -22.65 66.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 62.24 110.939 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.4 m -68.63 -62.12 1.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 72.03 111.176 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -28.06 65.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.924 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.6 t -63.98 -25.04 67.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.853 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.44 59.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 63.52 112.509 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -55.45 -25.83 38.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 64.21 110.902 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -71.47 -52.53 17.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 74.31 110.882 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.6 p -69.46 -25.07 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 51.33 111.119 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.56 ' OD1' HD21 ' A' ' 9' ' ' LEU . 2.5 t-20 -65.58 -48.92 70.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 74.1 110.895 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -61.89 -57.81 10.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 73.42 110.931 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.25 -41.85 54.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 42.02 112.523 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -65.99 -45.59 81.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.363 . . . . 71.53 110.919 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.28 -34.74 77.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 73.44 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.625 ' O ' HG23 ' A' ' 26' ' ' VAL . 66.8 t80 -63.37 -49.73 72.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 73.21 110.92 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -55.54 -38.27 69.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 70.31 110.918 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.42 -56.33 22.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 75.53 111.053 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.81 -40.89 97.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.765 -0.731 . . . . 71.44 112.473 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 22' ' ' PHE . 89.1 t -54.78 -32.21 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 75.23 111.126 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -63.18 -43.21 98.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 60.12 110.886 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -69.89 -27.1 64.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.871 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.16 -49.81 63.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 71.32 110.895 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.47 -26.86 68.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.32 111.048 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -82.78 -64.05 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 70.1 110.91 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.32 58.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 74.52 112.468 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.63 -31.25 27.61 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.798 -0.715 . . . . 73.43 112.491 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -90.3 -62.34 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 75.01 110.905 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.98 -107.81 0.29 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 40.21 112.492 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -89.47 104.39 16.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 72.52 110.862 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.0 t90 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 74.45 110.963 -179.915 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.741 0.305 . . . . 71.43 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -79.68 165.54 22.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 71.1 110.942 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -149.67 108.6 3.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 63.3 110.969 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.55 132.66 7.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 72.21 112.489 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.533 ' OD1' HG12 ' A' ' 7' ' ' VAL . 5.3 p30 -69.36 -26.18 64.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 70.34 110.884 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.54 -19.68 3.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.794 -0.717 . . . . 43.43 112.515 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.533 HG12 ' OD1' ' A' ' 5' ' ' ASN . 7.5 p -66.95 -40.3 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 71.21 111.17 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -72.48 -31.45 65.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.89 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.579 HD11 ' CG ' ' A' ' 17' ' ' ASN . 1.1 tt -62.52 -23.01 66.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 73.25 110.896 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 m -68.66 -62.11 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 64.15 111.147 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -69.3 -26.89 64.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 65.44 110.878 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.1 m -64.04 -24.84 67.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 64.21 110.866 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.417 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 147.62 58.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 75.44 112.493 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -55.51 -25.55 37.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.789 0.328 . . . . 64.12 110.9 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 p -71.41 -52.11 20.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 64.33 110.895 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 13' ' ' GLY . 11.7 p -69.33 -25.54 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 74.31 111.158 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.579 ' CG ' HD11 ' A' ' 9' ' ' LEU . 21.3 t-20 -72.37 -33.33 67.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 44.23 110.867 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -56.52 -58.6 7.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.906 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.48 -43.14 85.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 60.01 112.451 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.26 -46.26 87.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 73.41 110.913 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.68 -43.07 98.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 63.4 111.11 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 26' ' ' VAL . 3.4 t80 -54.61 -59.1 5.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 74.21 110.891 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 p -56.38 -46.81 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 64.12 110.818 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.4 -29.16 63.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 53.3 111.112 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.88 -30.85 34.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 74.11 112.479 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 22' ' ' PHE . 87.1 t -60.29 -33.04 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 74.44 111.097 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -63.71 -44.52 93.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.834 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -65.75 -39.79 91.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 72.34 110.871 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.33 -42.3 99.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.93 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.14 -35.34 75.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 41.03 111.109 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -85.92 56.07 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 51.23 110.844 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 178.48 -70.51 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 61.34 112.448 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.67 75.96 2.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 33.25 112.496 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -148.32 127.4 12.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.34 . . . . 75.41 110.902 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.32 -127.5 0.71 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.669 -0.777 . . . . 70.23 112.466 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -145.9 136.79 24.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 74.02 110.855 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.0 m0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 61.15 110.877 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.791 0.329 . . . . 73.44 110.895 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -154.56 136.84 14.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 75.1 110.895 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -84.79 -64.16 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 73.31 110.941 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.45 164.86 30.04 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.758 . . . . 51.45 112.489 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -70.7 -26.99 63.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 74.43 110.92 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 129.28 -20.47 5.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 74.12 112.494 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.7 m -66.93 -40.24 85.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 72.14 111.15 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -72.49 -31.1 65.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.892 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -22.47 66.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 75.53 110.936 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.9 m -68.59 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 70.21 111.159 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -69.53 -28.99 66.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 73.5 110.879 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.2 t -63.89 -25.18 68.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 75.33 110.869 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.19 60.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 64.14 112.448 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -55.46 -25.87 38.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.34 . . . . 73.5 110.904 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.5 t -71.48 -54.59 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 54.43 110.831 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.1 p -69.37 -29.43 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 51.15 111.15 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -72.72 -45.25 59.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 70.23 110.931 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -64.19 -47.91 77.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 74.4 110.9 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.34 -43.54 98.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 50.04 112.497 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -63.34 -44.3 95.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 75.53 110.88 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.68 81.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 73.21 111.079 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -61.66 -53.32 57.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 75.52 110.868 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.9 t -52.11 -34.16 42.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 62.22 110.847 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.29 91.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 61.24 111.134 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.91 -34.07 43.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 72.33 112.478 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.5 t -58.75 -38.16 70.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.881 0.372 . . . . 74.42 111.17 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -64.95 -40.57 95.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 64.32 110.865 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -68.42 -37.55 80.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 73.24 110.828 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.9 mt -66.98 -37.66 84.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 -32.63 74.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 65.53 111.135 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -88.55 83.79 6.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 74.3 110.927 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 131.97 -26.22 3.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 74.42 112.506 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.51 90.91 0.6 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.758 . . . . 63.04 112.456 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -92.78 -34.09 14.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 64.32 110.883 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.55 -152.49 5.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 71.42 112.471 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 60.89 33.22 19.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 70.31 110.899 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.4 t90 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 71.12 110.932 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.5 tptm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.773 0.321 . . . . 44.42 110.899 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -84.35 106.93 16.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 64.12 110.942 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -81.07 -35.84 31.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 75.52 110.905 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.34 -44.75 0.11 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.746 . . . . 71.23 112.489 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -73.88 76.78 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 75.55 110.899 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.93 81.33 0.8 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 72.3 112.504 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.3 m -66.54 -39.93 85.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 71.13 111.163 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -72.6 -30.84 64.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.11 110.855 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.16 -22.47 66.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 75.02 110.905 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 m -68.63 -62.1 1.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 70.32 111.131 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -69.12 -25.6 64.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.926 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -64.03 -25.31 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 53.3 110.842 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.596 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 147.42 57.02 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 50.44 112.439 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -56.08 -21.84 24.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.901 0.381 . . . . 75.03 110.93 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 m -63.54 -19.5 64.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 60.25 110.893 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 13' ' ' GLY . 9.8 p -69.29 -21.9 25.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.09 -0.504 . . . . 71.32 111.098 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -69.78 -30.39 67.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 64.04 110.859 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -59.29 -48.32 82.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.94 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.23 -40.3 98.81 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.784 -0.722 . . . . 65.31 112.482 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.49 -43.34 85.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.856 0.36 . . . . 75.32 110.886 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.96 -35.07 79.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 70.24 111.132 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -67.25 -47.96 69.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 74.51 110.869 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m -59.24 -27.04 65.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 42.43 110.903 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.99 -52.16 61.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 34.21 111.127 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.38 -42.41 93.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 62.13 112.447 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.0 t -57.54 -34.05 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 75.33 111.118 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -64.09 -41.03 97.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.891 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -67.65 -47.71 68.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 70.51 110.888 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 mt -61.55 -30.08 70.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 72.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.86 70.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 63.32 111.108 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -85.18 -42.87 14.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 73.45 110.885 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -88.27 -89.33 1.13 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 50.34 112.452 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.82 32.94 35.17 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 72.34 112.487 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -94.22 97.07 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 64.33 110.862 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 172.06 -121.03 0.86 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 64.2 112.491 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -87.97 -35.84 17.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 72.42 110.895 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 89.4 m95 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 65.44 110.96 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.813 0.34 . . . . 64.34 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -85.73 131.16 34.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 73.21 110.898 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -86.63 52.6 2.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 75.32 110.983 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.69 -128.05 9.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.719 . . . . 63.13 112.486 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -76.36 -70.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 73.15 110.886 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.37 81.53 1.6 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.693 -0.765 . . . . 43.13 112.485 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.4 m -66.95 -40.23 85.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 73.33 111.141 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -72.55 -30.59 64.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 53.33 110.866 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.31 -23.14 67.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.92 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 m -68.58 -62.14 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 71.03 111.159 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -69.19 -25.62 64.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 72.24 110.889 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -64.05 -25.23 68.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 50.2 110.871 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.595 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 147.37 57.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 44.34 112.448 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -56.19 -21.71 24.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 64.52 110.924 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.9 p -63.66 -19.35 64.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 64.44 110.875 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 13' ' ' GLY . 9.8 p -69.36 -21.84 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 73.12 111.099 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -71.48 -27.83 63.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.875 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -57.84 -49.97 74.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.154 -0.476 . . . . 74.53 110.889 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.06 -42.95 98.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 70.4 112.474 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -65.58 -40.49 92.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.358 . . . . 72.44 110.889 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.24 86.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 64.22 111.127 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -64.41 -43.95 92.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 64.33 110.893 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -55.62 -37.03 67.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 70.24 110.821 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.23 -35.6 75.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.11 111.158 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.38 -49.34 20.46 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.717 -0.754 . . . . 71.25 112.452 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.5 t -57.39 -32.39 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.924 0.392 . . . . 70.51 111.151 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -63.33 -43.13 98.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.916 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -69.36 -26.52 64.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.41 110.885 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.57 -54.13 22.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 61.21 110.931 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.47 -25.38 65.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 73.54 111.079 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -83.65 -43.71 15.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.874 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 156.49 119.06 0.6 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 51.44 112.481 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.54 76.27 0.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 74.42 112.502 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -142.99 105.6 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 62.54 110.884 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -155.91 -148.82 5.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 20.11 112.459 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -87.28 145.55 26.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.878 0.371 . . . . 71.44 110.873 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.2 t90 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 75.3 110.953 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.3 tttp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.831 0.348 . . . . 74.23 110.863 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -85.88 57.46 4.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.927 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -153.92 114.68 4.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 75.04 110.95 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.82 -103.92 0.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 63.35 112.531 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 49.45 38.2 13.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.923 0.392 . . . . 65.33 110.89 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.94 81.08 1.3 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 64.22 112.488 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.8 m -66.96 -40.24 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 73.4 111.087 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -72.45 -31.59 65.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.875 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.49 -22.49 66.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 65.41 110.886 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.2 m -68.67 -62.09 1.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 63.22 111.139 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -69.52 -28.69 66.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 73.45 110.851 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.2 m -63.95 -24.94 67.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 63.04 110.884 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.81 60.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 55.23 112.489 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -55.33 -25.95 37.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 60.34 110.937 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 98.1 p -71.46 -54.13 11.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.816 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.9 p -69.38 -29.37 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 74.43 111.112 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -71.42 -26.26 62.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 74.14 110.898 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 21.5 t-105 -61.46 -54.25 45.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.937 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.75 -41.66 90.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 63.1 112.473 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.35 -36.49 83.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 72.12 110.869 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.86 -31.79 71.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 73.44 111.108 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -68.34 -53.39 24.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 62.33 110.895 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.4 t -53.11 -29.03 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 71.32 110.853 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.77 59.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 60.33 111.116 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.15 -40.23 14.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 70.3 112.462 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.3 t -56.33 -34.02 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 62.52 111.127 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -64.6 -42.11 95.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 74.52 110.891 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.0 ttt85 -65.91 -36.28 82.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.845 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.3 -42.95 92.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 71.32 110.891 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.92 -25.83 68.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 73.44 111.083 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -83.71 -26.45 29.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 71.34 110.873 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.56 122.73 4.24 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.691 -0.766 . . . . 11.53 112.483 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.66 -71.85 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.778 -0.725 . . . . 41.42 112.513 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -96.67 68.51 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 74.12 110.848 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -102.41 98.41 1.7 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 50.32 112.469 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -90.87 -34.64 15.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 73.32 110.863 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 68.5 p-90 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 60.01 110.92 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.746 0.308 . . . . 64.41 110.886 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -85.52 144.03 28.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.262 -0.426 . . . . 71.51 110.912 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -149.68 104.1 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 75.11 110.896 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.62 -150.83 22.26 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 72.01 112.47 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 49.41 55.72 8.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.855 0.36 . . . . 72.42 110.887 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.02 82.41 0.42 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.743 . . . . 51.23 112.493 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.0 m -66.73 -39.88 84.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 70.35 111.129 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -72.64 -32.27 65.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.83 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.686 HD11 ' OD1' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -62.94 -22.17 66.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 74.55 110.92 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.8 m -68.61 -62.19 1.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 54.21 111.153 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -69.54 -28.84 66.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.902 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.1 t -63.86 -24.83 67.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 75.22 110.856 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.428 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 148.64 60.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 24.51 112.468 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -55.67 -25.35 39.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 74.31 110.888 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.9 p -71.46 -51.77 22.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 73.51 110.891 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 13' ' ' GLY . 11.2 p -69.34 -25.08 28.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 73.42 111.12 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.686 ' OD1' HD11 ' A' ' 9' ' ' LEU . 5.0 t30 -65.5 -53.66 39.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 64.42 110.884 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -62.31 -53.63 52.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 71.22 110.924 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.58 -38.77 64.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.697 -0.763 . . . . 50.35 112.505 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -66.3 -42.79 87.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 70.03 110.86 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.66 81.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 75.11 111.106 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -68.12 -38.11 81.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 71.54 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 m -52.36 -31.71 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 73.52 110.831 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.35 -41.76 94.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 61.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.77 -44.02 57.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.779 -0.724 . . . . 71.32 112.467 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.3 t -54.85 -32.79 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 52.32 111.126 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -63.52 -43.51 96.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 75.04 110.854 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.3 ttp85 -65.23 -34.9 79.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.899 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mp -61.97 -51.09 69.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.98 -58.13 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 73.15 111.147 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -82.71 64.76 7.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.942 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.65 -116.74 0.38 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.746 . . . . 73.21 112.509 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.99 79.9 1.78 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 63.2 112.531 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -142.4 136.53 29.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 70.3 110.915 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.97 25.01 15.06 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.724 -0.75 . . . . 62.33 112.491 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -89.89 105.01 17.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 71.03 110.873 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 71.23 110.969 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.783 0.325 . . . . 74.24 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -80.72 79.92 7.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 75.54 110.878 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -150.35 110.75 4.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 70.03 110.924 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.9 111.31 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.767 . . . . 44.22 112.446 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -161.86 83.97 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.348 . . . . 74.32 110.886 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.88 -20.84 41.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 72.05 112.482 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.7 -40.0 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 72.42 111.141 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -72.57 -28.79 63.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 74.25 110.807 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.71 -28.64 67.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 75.13 110.901 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.0 m -68.69 -61.98 1.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 75.53 111.186 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -61.55 -31.23 71.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 75.2 110.886 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.5 t -64.13 -67.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 65.43 110.819 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.1 61.5 0.29 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 74.53 112.482 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 pp -55.3 -28.72 55.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 72.2 110.924 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.5 t -71.41 -51.55 23.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 63.11 110.87 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.2 p -69.33 -27.92 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 75.02 111.108 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -72.78 -26.3 61.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.93 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -58.48 -57.01 14.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 74.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.33 -42.61 74.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 52.04 112.485 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -63.62 -39.1 93.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 74.01 110.916 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -67.81 -33.05 74.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.0 111.088 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.705 ' O ' HG23 ' A' ' 26' ' ' VAL . 14.1 t80 -61.17 -64.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 71.32 110.915 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 m -55.4 -26.59 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 53.14 110.847 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . -52.88 -63.21 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 41.33 111.122 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.74 -31.37 73.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.763 . . . . 42.22 112.466 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 22' ' ' PHE . 93.5 t -56.67 -31.89 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 73.24 111.12 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -63.22 -38.64 91.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.86 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -69.87 -37.49 76.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 72.22 110.857 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.7 -37.52 86.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 71.22 110.932 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.42 -25.22 66.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 54.32 111.103 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -82.34 79.66 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 75.35 110.914 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 129.99 -39.41 1.82 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 75.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.47 -19.54 77.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 74.41 112.498 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 60.88 31.0 19.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 63.45 110.886 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -111.67 81.83 0.29 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.723 . . . . 72.34 112.484 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -86.45 83.52 7.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 73.32 110.833 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.3 m95 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 73.31 110.931 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.774 0.321 . . . . 75.05 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -84.57 171.48 12.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.4 110.894 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -153.17 120.4 5.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 74.3 110.931 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.95 26.82 14.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 51.3 112.515 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -69.64 85.17 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 73.23 110.82 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.53 80.74 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 72.42 112.475 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.9 m -66.58 -39.99 85.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.885 0.374 . . . . 62.02 111.145 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -72.67 -30.75 64.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 72.51 110.846 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.91 -23.23 67.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 75.3 110.921 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.9 m -68.73 -61.87 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 72.23 111.139 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -68.73 -28.82 67.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 75.4 110.899 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.6 t -64.2 -26.09 68.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 74.04 110.832 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.679 ' O ' HG12 ' A' ' 16' ' ' VAL . . . 150.09 60.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.689 -0.767 . . . . 72.12 112.459 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 pp -56.71 -20.94 24.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.343 . . . . 74.03 110.914 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m -63.18 -26.97 69.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 54.41 110.846 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.679 HG12 ' O ' ' A' ' 13' ' ' GLY . 6.1 p -69.35 -21.99 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 61.24 111.173 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -69.54 -40.43 76.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 75.21 110.867 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -56.37 -53.46 57.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.474 . . . . 74.22 110.896 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.93 -41.51 59.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.793 -0.718 . . . . 61.41 112.478 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -66.55 -49.47 66.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 53.11 110.898 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.53 -35.65 76.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 72.22 111.141 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -62.89 -48.89 77.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.04 110.851 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.2 t -60.43 -30.61 69.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.863 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.54 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 64.24 111.09 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.66 -34.78 38.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 72.13 112.482 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.6 t -56.16 -32.46 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 72.14 111.153 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -64.86 -44.48 89.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 52.25 110.851 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -64.41 -36.71 85.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 74.2 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.65 -41.21 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 65.25 110.917 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.56 78.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 73.54 111.089 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -83.94 -68.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.865 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -109.2 81.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.674 -0.774 . . . . 61.4 112.452 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.46 -72.51 1.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.785 -0.722 . . . . 63.03 112.481 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -144.01 105.63 4.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.852 0.358 . . . . 64.43 110.902 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.92 -101.92 0.65 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 34.32 112.495 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -90.8 -28.72 18.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 74.4 110.862 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.0 t90 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 73.5 110.855 -179.89 . . . . . . . . 0 0 . 1 stop_ save_